GROUP PUBLICATIONS
Journal articles Every attempt has been made to adhere to the requirements of Publishers regarding posting of articles. Please contact vandewalle@mrl.ucsb.edu in case of any inadvertent omissions or errors. 290"Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors ," , J. L. Lyons, A. Janotti and C. G. Van de Walle, J. Appl. Phys., 115 (2014) © doi 10.1063/1.4838075 289"Effects of carbon on the electrical and optical properties of InN, GaN, and AlN ," , J. L. Lyons, A. Janotti and C. G. Van de Walle, Phys. Rev. B, 89 (2014) © doi 10.1103/PhysRevB.89.035204 288"Hydrogenated vacancies and hidden hydrogen in SrTiO3 ," , J. B. Varley, A. Janotti, C. G. Van de Walle, Phys. Rev. B, 89 (2014) © doi 10.1103/PhysRevB.89.075202 287"Absolute surface energies of polar and nonpolar planes of GaN ," , C. E. Dreyer, A. Janotti and C. G. Van de Walle, Phys. Rev. B, 89 (2014) © doi 10.1103/PhysRevB.89.081305 286"Oxide interfaces for novel electronic applications ," , L. Bjaalie, B. Himmetoglu, L. Weston, A. Janotti and C. G. Van de Walle, New J. Phys., 16 (2014) © doi 10.1088/1367-2630/16/2/025005 285"Hybrid functional calculations of DX centers in AlN and GaN ," , L. Gordon, J. L. Lyons, A. Janotti and C. G. Van de Walle, Phys. Rev. B, 89 (2014) © doi 10.1103/PhysRevB.89.085204 284"Band alignments and polarization properties of BN polymorphs ," , C. Dreyer, J. L. Lyons, A. Janotti and C. G. Van de Walle, Appl. Phys. Express, 7 (2014) © doi 10.7567/APEX.7.031001 283"Hydrogen Passivation of Impurities in Al2O3 ," , M. Choi, A. Janotti and C. G. Van de Walle, ACS Appl. Mater. Inter, 6 (2014) © doi 10.1021/am4057997 282"First-principles calculations for point defects in solids ," , C. Freysoldt, B. Grabowski, T. Hickel, J. Neugebauer, G. Kresse, A. Janotti and C. G. Van de Walle, Rev. Mod. Phys., 86 (2014) © doi 10.1103/RevModPhys.86.253 281"High-voltage field effect transistors with wide-bandgap beta-Ga2O3 nanomembranes ," , W. S. Hwang, A. Verma, H. Peelaers, V. Protasenko, S. Rouvimov, H. Xing, A. Seabaugh, W. Haensch, C. G. Van de Walle, Z. Galazka, M. Albrecht, R. Fornari and D. Jena, Appl. Phys. Lett., 104 (2014) © doi 10.1063/1.4879800 280"Hybrid functional calculations of point defects and hydrogen in SrZrO3 ," , L. Weston, A. Janotti, X. Y. Cui, C. Stampfl and C. G. Van de Walle, Phys. Rev. B, 89 (2014) © doi 10.1103/PhysRevB.89.184109 279"Band alignment at band-insulator/Mott-insulator interfaces ," , A. Janotti, L. Bjaalie, B. Himmetoglu and C. G. Van de Walle, Phys. Status Solidi-R, 8 (2014) © doi 10.1002/pssr.201409088 278"Elastic Constants and Pressure-Induced Effects in MoS2 ," , H. Peelaers and C. G. Van de Walle, J. Phys. Chem. C 118 12073 (2014) © doi 10.1021/jp503683h 277"First-principles theory of the luminescence lineshape for the triplet transition in diamond NV centres ," , A. Alkauskas,B. B. Buckley, D. D. Awschalom and C. G. Van de Walle, New J. Phys., 16 (2014) © doi 10.1088/1367-2630/16/7/073026 276"First-principles study of van der Waals interactions in MoS2 and MoO3. ," , H. Peelaers and C. G. Van de Walle, J. Phys. C., 26 (2014) © doi 10.1088/0953-8984/26/30/305502 275"Auger Recombination in GaAs from First Principles ," , D. Steiauf, E. Kioupakis and C. G. Van de Walle, ACS Photonics, 1 (2014) © doi 10.1021/ph500119q 274"First-principles theory of nonradiative carrier capture via multiphonon emission ," , A. Alkauskas, Q. Yan and C. G. Van de Walle, Phys. Rev. B, 90 (2014) © doi 10.1103/PhysRevB.90.075202 273"Vacancies and small polarons in SrTiO 3 ," , A. Janotti, J. B. Varley, M. Choi and C. G. Van de Walle, Phys. Rev. B, 90 (2014) © doi 10.1103/PhysRevB.90.085202 272"Direct View at Excess Electrons in TiO_{2} Rutile and Anatase ," , M. Setvin, C. Franchini, X. Hao, M. Schmid, A. Janotti, M. Kaltak, C. G. Van de Walle, G. Kresse and U. Diebold, Phys. Rev. Lett., 113 (2014) © doi 10.1103/PhysRevLett.113.086402 271"Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes ," , P. M. McBride, Q. Yan, C. G. Van de Walle, Appl. Phys. Lett., 105 (2014) © doi10.1063/1.4894464 270"First-principles study of vacancy-assisted impurity diffusion in ZnO ," , D. Steiauf, J. L. Lyons and C. G. Van de Walle, APL Materials, 22 (2014) © "Optical polarization characteristics of semipolar (3031) and (3031) InGaN/GaN light-emitting diode ," , Y. Zhao, Q. Yan, D. Feezell, K. Fujito, C. G. Van de Walle, J. S. Speck, S. P. Denbaars and S. Nakamura, Opt. Express, 21 (2013) © doi 10.1364/OE.21.000A53 268"Dangling bonds and vacancies in germanium ," , J. R. Weber, A. Janotti and C. G. Van de Walle, Phys. Rev. B, 87 (2013) © doi 10.1103/PhysRevB.87.035203 267"Effect of transition-metal additives on hydrogen desorption kinetics of MgH2 ," , A. Roy, A. Janotti, C. G. Van de Walle, Appl. Phys. Lett., 102 (2013) © doi 10.1063/1.4788746 266"Native point defects and dangling bonds in alpha-Al2O3 ," , M. Choi, A. Janotti, and C. G. Van de Walle, J. Appl. Phys., 113 (2013) © doi 10.1063/1.4784114 265" Structural origins of the properties of rare earth nickelate superlattices ," , J. Hwang, J. Son, J. Y. Zhang, A. Janotti, C. G. Van de Walle and S. Stemmer, Phys. Rev. B, 87 (2013) © doi 10.1103/PhysRevB.87.060101 264" Enhanced Optical Absorption Due to Symmetry Breaking in TiO2(1-x)S2x Alloys ," , A. Schleife, P. Rinke, F. Bechstedt, and C. G. Van de Walle, J. Phys. Chem. C, 117 (2013) © doi 10.1021/jp3106937 263" Dual behavior of excess electrons in rutile TiO2 ," , A. Janotti, C. Franchini, J. B. Varley, G. Kresse, and C. G. Van de Walle, Phys. Status Soldi-R, 7 (2013) © doi 10.1002/pssr.201206464 262" Electronic structure of a single-layer InN quantum well in a GaN matrix ," , M. S. Miao, Q. M. Yan, and C. G. Van de Walle, Appl. Phys. Lett., 102 (2013) © doi 10.1063/1.4794986 261" Impact of native defects in high-k dielectric oxides on GaN/oxide metal-oxide-semiconductor devices ," , M. Choi, J. L. Lyons, A. Janotti, and C. G. Van de Walle, Phys. Status Solidi B, 250 (2013) © doi 10.1002/pssb.201200628 260" Impact of carbon and nitrogen impurities in high-kappa dielectrics on metal-oxide-semiconductor devices ," , M. Choi, J. L. Lyons, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett., 102 (2013) © doi 10.1063/1.4801497 259" Effects of strain on the electron effective mass in GaN and AlN ," , C. E. Dreyer, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett., 102 (2013) © doi 10.1063/1.4801520 258" Band offsets in complex-oxide thin films and heterostructures of SrTiO3/LaNiO3 and SrTiO3/GdTiO3 by soft and hard X-ray photoelectron spectroscopy ," , G. Conti, A. M. Kaiser, A. X. Gray, S. Nemsak, G. K. Palsson, J. Son, P. Moetakef, A. Janotti, L. Bjaalie, C. S. Conlon, D. Eiteneer, A. A. Greer, A. Kegi, A. Rattanachata, A. Y. Saw, A. Bostwick, W. C. Stolte, A. Gloskovskii, W. Drube, S. Ueda, M. Kobata, K. Kobayashi, C. G. Van de Walle, S. Stemmer, C. M. Schneider, and C. S. Fadley, J. Appl. Phys., 113 (2013) © doi 10.1063/1.4795612 257" Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN ," , J. L. Lyons, A. Janotti, and C. G. Van de Walle, Jpn. J. Appl. Phys., 52 (2013) © doi 10.7567/JJAP.52.08JJ04 256" Polarization effects due to thickness fluctuations in nonpolar InGaN/GaN quantum wells ," , O. Marguardt, T. Hickel, J. Neugebauer and C. G. Van de Walle, Appl. Phys. Lett., 103 (2013) © doi 10.1063/1.4818752 255" Ambipolar doping in SnO ," ,J. B. Varley, A. Schleife, A. Janotti and C. G. Van de Walle, Appl. Phys. Lett., 103 (2013) © doi 10.1063/1.4819068 254" Defects at Ge/oxide and III-V/oxide interfaces ," , C. G. Van de Walle, M. Choi, J. R. Weber, J. L. Lyons, and A. Janotti, Microelectronic Eng., 109 (2013) © doi 10.1016/j.mee.2013.03.151 253" Defects for Quantum Computing ," , L. Gordon, J. R. Weber, J. B. Varley, A. Janotti, D. D. Awschalom and C. G. Van de Walle, MRS Bull., 38 (2013) © doi 10.1557/mrs.2013.206 252" Native point defects in LaAlO3: a hybrid functional study ," , M. Choi, A. Janotti and C. G. Van de Walle, Phys. Rev. B, 88 (2013) © doi 10.1103/PhysRevB.88.214117 251" Temperature and carrier-density dependence of Auger and radiative recombination in nitride optoelectronic devices ," , E. Kioupakis, Q. Yan, D. Steiauf, C. G. Van de Walle, New J. Phys., 15 (2013) © doi 10.1088/1367-2630/15/12/125006 250" LiH as a Li+ and H- ion provider ," , K. Hoang and C. G. Van de Walle, Solid State Ionics, 15 (2013) © doi 10.1016/j.ssi.2013.08.017 249" LDA plus U and hybrid functional calculations for defects in ZnO, SnO2, and TiO2 ," , A. Janotti, C. G. Van de Walle, Phys. Stat. Solidi. B 248 4 799 (2012) © doi 10.1002/pssb.201046384 248" Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2 ," , H. Peelaers, E. Kioupakis, and C.G. Van de Walle, Appl. Phys. Lett. 100, 011914 (2012) © doi 10.1063/1.3671162 247" First-Principles Optical Spectra for F Centers in MgO ," , P. Rinke, A. Schleife, E. Kioupakis, A. Janotti, C. Rodl, F. Bechstedt, M. Scheffler, C. G. Van de Walle, Phys. Rev. Lett, 108, 126404 (2012) © doi 10.1103/PhysRevLett.108.126404 246" Role of self-trapping in luminescence and p-type conductivity of wide-band-gap oxides ," , J. Varley, A. Janotti, C. Franchin,; C. G. Van de Walle, Phys. Rev. B. 85, 081109 (2012) © doi 10.1103/PhysRevB.85.081109 245" Mechanisms for the decomposition and dehydrogenation of Li amide/imide ," , K. Hoang, A. Janotti, C.G. Van de Walle, Phys. Rev. B. 85, 064115 (2012) © doi 10.1103/PhysRevB.85.064115 244" Hybrid functional calculations of native point defects in InN ," , A. Janotti, J. L. Lyons, C. G. Van de Walle, Phys. Stat. Solidi. A 209 1 65-70 (2012) © doi 10.1002/pssa.201100216 243" Shallow versus deep nature of Mg acceptors in nitride semiconductors ," , J. L. Lyons, A. Janotti, and C. G. Van de Walle, Phys. Rev. Lett. 108, 156403 (2012) © doi 10.1103/PhysRevLett.108.156403 242" Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate ," , K. Hoang, A. Janotti+, and C. G. Van de Walle, Phys. Chem. Phys. Chem. 14, 2840 (2012) © doi 10.1039/c2cp23253g 241" Hybrid functional calculations of native point defects in InN ," , A. Janotti, J. L. Lyons, C. G. Van de Walle, Phys. Status Solidi 209, 65 (2012) © doi 10.1002/pssa.201100216 240" Multilayer transition-metal dichalcogenide channel Thin-Film Transistors ," , E. S. Kim, S. Kim, Y. S. Lee, S. Y. Lee, S. Lee, W. Choi, H. Peelaers, C. G. Van de Walle, W-S. Hwang, T. Kosel, and D. Jena, IEEE El Devices Meet 209, 65 (2012) © doi 10.1109/IEDM.2012.6478985 239" Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2 ," , H. Peelaers, E. Kioupakis, C. G. Van de Walle, Appl. Phys. Lett., 100 (2012) © doi 10.1063/1.3671162 238" Mechanisms for the decomposition and dehydrogenation of Li amide/imide ," , K. Hoang, A. Janotti, and C. G. Van de Walle, Phys. Rev. B, 85 (2012) © doi 10.1103/PhysRevB.85.064115 237" Role of self-trapping in luminescence and p-type conductivity of wide-band-gap oxides ," , J. B. Varley, A. Janotti, C. Franchini, and C. G. Van de Walle, Phys. Rev. B, 85 (2012) © doi 10.1103/PhysRevB.85.081109 236" First-Principles Optical Spectra for F Centers in MgO ," , P. Rinke, A. Schleife, E. Kioupakis, A. Janotti, C. Roedl, F. Bechstedt and M. Scheffler, Phys. Rev. Lett., 108 (2012) © doi 10.1103/PhysRevLett.108.126404 235" Mechanism for the decomposition of lithium borohydride ," , K. Hoang and C. G. Van de Walle, Int. J. Hydrogen Energ., 37 (2012) © doi 10.1016/j.ijhydene.2012.01.002 234" Confinement effects on valence-subband character and polarization anisotropy in (11(2)over-bar2) semipolar InGaN/GaN quantum wells ," , C. Roberts, Q. Yan, M-S. Miao and C. G. Van de Walle, J. Appl. Phys., 111 (2012) © doi 10.1063/1.3702798 233" Role of nitrogen vacancies in the luminescence of Mg-doped GaN ," , Q. Yan, A. Janotti, M. Scheffler and C. G. Van de Walle, Appl. Phys. Lett., 100 (2012) © doi10.1063/1.3699009 232" Phonon-Assisted Optical Absorption in Silicon from First Principles ," , J. Noffsinger, E. Kioupakis, C. G. Van de Walle, S. G. Louie and M. L. Cohen, Phys. Rev. Lett., 108 (2012) © doi 10.1103/PhysRevLett.108.167402 231" Indium incorporation and emission properties of nonpolar and semipolar InGaN quantum wells ," , Y. Zhao, Q. Yan, C-Y. Huang, S-C. Huang, P. S. Hsu, S. Tanaka, C-C. Pan, Y. Kawaguchi, K. Fujito, C. G. Van de Walle, J. S. Speck, S. P. Denbaars, S. Nakamura, D. Feezell, Appl. Phys. Lett., 100 (2012) © doi 10.1063/1.4719100 230" Influence of polarity on carrier transport in semipolar (20(21)over-bar) and (20(2)over-bar1) multiple-quantum-well light-emitting diodes ," , Y. Kawaguchi, C-Y. Huang, Y-R. Wu, Q. Yan, C-C. Pan, Y. Zhao, S. Tanaka, K. Fujito, D. Feezell, C. G. Van de Walle, S. P. Denbaars and S. Nakamura, Appl. Phys. Lett., 100 (2012) © doi 10.1063/1.4719100 229" Dehydrogenation of AlH3 via the Vacancy Clustering Mechanism ," , L. Ismer, A. Janotti and C. G. Van de Walle, J Phys. Chem. C, 116 (2012) © doi 10.1021/jp211164g 228" Effects of doping on the lattice parameter of SrTiO3 ," , A. Janotti, B. Jalan, S. Stemmer, C. G. Van de Walle, Appl. Phys. Lett., 100 (2012) © doi 10.1063/1.4730998 227" Measurement and Control of Single Nitrogen-Vacancy Center Spins above 600 K ," , D. M. Toyli, D. J. Christle, A. Alkauskas, B. B. Buckley, C. G. Van de Walle, and D. D. Awschalom, Phys. Rev. X, 100 (2012) © doi 10.1103/PhysRevX.2.031001 226" Strain effects and band parameters in MgO, ZnO, and CdO ," , Q. Yan, P. Rinke, M. Winkelkemper, A. Qteish, D. Bimberg, M. Scheffler and C. G. Van de Walle, Appl. Phys. Lett., 101 (2012) © doi 10.1063/1.4759107 225" Polarization-Driven Topological Insulator Transition in a GaN/InN/GaN Quantum Well ," , M. S. Miao, Q. Yan, C. G. Van de Walle, W. K. Lou, L. L. Li and K. Chang, Phys. Rev. Lett., 109 (2012) © doi 10.1103/PhysRevLett.109.186803 224" Electrically active Er doping in InAs, In0.53Ga0.47As, and GaAs ," , P. G. Burke, L. Ismer, H. Lu, E. Frantz, A. Janotti, C. G. Van de Walle, J. E. Bowers and A. C. Gossard, Appl. Phys. Lett., 101 (2012) © doi 10.1063/1.4769248 223" Interplay of polarization fields and Auger recombination in the efficiency droop of nitride light-emitting diodes ," , E. Kioupakis, Q. Yan and C. G. Van de Walle, Appl. Phys. Lett., 101 (2012) © doi 10.1063/1.4769374 222" Effects of strain on band structure and effective masses in MoS2 ," , H. Peelaers and C. G. Van de Walle, Phys. Rev. B, 86 (2012) © doi 10.1103/PhysRevB.86.241401 221" Controlling the density of the two-dimensional electron gas at the SrTiO3/LaAlO3 interface ," , A. Janotti, L. Bjaalie, L. Gordon and C. G. Van de Walle, Phys. Rev. B, 86 (2012) © doi 10.1103/PhysRevB.86.241108 220" First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO ," , A. Alkauskas, J. L. Lyons, D. Steiauf and C. G. Van de Walle, Phys. Rev. Lett., 109 (2012) © doi 10.1103/PhysRevLett.109.267401 219" Band parameters and strain effects in ZnO and group-III nitrides ," , Q. Yan, P. Rinke, M. Winkelnkemper, A. Qteish, D. Bimberg, M. Scheffler, and C. G. Van de Walle, Semicond. Sci. Technol. 26 , 014037 (2011) © doi 10.1088/0268-1242/26/1/014037 218" Advances in electronic structure methods for defects and impurities in solids ," , C. G. Van de Walle and A. Janotti, Phys. Status Solidi B 248 , 19 (2011) © doi 10.1002/pssb.201046290 217" Tin dioxide from first principles: Quasiparticle electronic states and optical properties ," , A. Schleife, J. B. Varley, F. Fuchs, C. Rödl, F. Bechstedt, P. Rinke, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 83 , 035116 (2011) © doi 10.1103/PhysRevB.83.035116 216" Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide semiconductorbased devices ," , J. R. Weber, A. Janotti, and C. G. Van de Walle, J. Appl. Phys. 109 , 033715 (2011) © doi 10.1063/1.3544310 215" Hybrid functional investigations of band gaps and band alignments for AlN, GaN, InN, and InGaN ," , P. G. Moses, M. Miao, Q. Yan, and C. G. Van de Walle, J. Chem. Phys. 134 , 084703 (2011) © doi 10.1063/1.3548872 214" Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes ," , Emmanouil Kioupakis, Patrick Rinke, Kris T. Delaney, and Chris G. Van de Walle, Appl. Phys. Lett. 98, 161107 (2011) © doi 10.1063/1.3570656 213" The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2 ," , J. L. Lyons, A. Janotti, and C. G. Van de Walle, Microelectronic Engineering 88, 1452 (2011) © doi 10.1016/j.mee.2011.03.099 212" Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities ," , A. Janotti, D. Steiauf, C. G. Van de Walle, Phys. Rev. B. 84 201304 (2011) © doi 10.1103/PhysRevB.84.201304 211" Hydrogenated cation vacancies in semiconducting oxides ," , J. B.Varley, H. Peelaers, A. Janotti, C. G. Van de Walle, Journal of Physics C, 23 334212 (2011) © doi 10.1088/0953-8984/23/33/334212 210" Electrostatic carrier doping of GdTiO3/SrTiO3 interfaces ," , P. Moetakef, T. A. Cain, D. Ouelette, J. Zhang, D. O. Klenov, A. Janotti, C. G. Van de Walle, S. Rajan, S. J. Allen, S. Stemmer, Appl. Phys. Lett. 99 232116 (2011) © doi 10.1063/1.3669402 209" Influence of Mg-doped barriers on semipolar multiple-quantum-well green light-emitting diodes ," , C-Y. Huang, Q. Yan, Y, Zhao, K. Fujito, D. Feezell, C. G. Van de Walle, J. S. Speck, S. P. DenBaars, S. Nakamura, Appl. Phys. Lett. 99 141114 (2011) © doi 10.1063/1.3647560 208" Insulating state of ultrathin epitaxial LaNiO3 thin films detected by hard x-ray photoemission ," , A. X. Gray,A. Janotti, J. Son, J. M. Lebeau, S. Ueda, Y. Yamashita, K. Kobayashi, A. M. Kaiser, R. Sutarto, H. Wadati, G. A. Sawatzky, C. G. Van de Walle, S. Stemmer, C. S. Fadley, Phys. Rev. B. 84 075104 (2011) © doi 10.1103/PhysRevB.84.075104 207" Experimental electronic structure of In2O3 and Ga2O3 ," , C. Janowitz, V. Scherer, M. Mohamed, A. Krapf, H. Dwelk, R. Manzke, Z. Galazka, R. Uecker, K. Irmscher, R. Fornari, M. Michling, D. Schmeisser, J. R. Weber, J. B. Varley, C. G. Van de Walle, New Journal of Physics, 13 085014 (2011) © doi 10.1088/1367-2630/13/8/085014 206" Mechanism of Visible-Light Photocatalysis in Nitrogen-Doped TiO2 ," , J. B. Varley, A. Janotti, C. G. Van de Walle, Advanced Materials 23 20 2343 (2011) © 205" Defects in SiC for Quantum Computing ," , J. R. Weber, W. F. Koehl, J. B. Varley, A. Janotti, B. B. Buckley, C. G. Van de Walle, D. D. Awschalom, J. Appl. Phys. 109 102417 (2011) © doi 10.1063/1.3578264 204" Electrostatic interactions between charged defects in supercells ," , C. Freysoldt, J. Neugebauer, C. G. Van de Walle, Phys. Stat. Solidi B 248 5 1067 (2011) © doi 10.1002/pssb.201046289 203" Band bowing and band alignment in InGaN alloys ," , P. G. Moses and C. G. Van de Walle, Appl. Phys. Lett. 96 , 021908 (2010) © doi 10.1063/1.3291055 202" Hybrid functional studies of the oxygen vacancy in TiO2 ," , A. Janotti, J. B. Varley, P. Rinke, N. Umezawa, G. Kresse, and C. G. Van de Walle, Phys. Rev. B 81 , 085212 (2010) © doi 10.1103/PhysRevB.81.085212 201" Effects of surface reconstructions on oxygen adsorption at AlN polar surfaces ," , M. S. Miao, P. G. Moses, J. R. Weber, A. Janotti, and C. G. Van de Walle, EuroPhys. Lett. 89 , 56004 (2010) © doi 10.1209/0295-5075/89/56004 200" Origin and passivation of fixed charge in atomic layer deposited aluminum oxide gate insulators on chemically treated InGaAs substrates ," , B. Shin, J. R. Weber, R. D. Long, P. K. Hurley, C. G. Van de Walle, and P. C. McIntyre, Appl. Phys. Lett. 96 , 152908 (2010) © 199" Theoretical study of Schottky-barrier formation at epitaxial rare-earth metal/semiconductor interfaces ," , K. T. Delaney, N. A. Spaldin, and C. G. Van de Walle, Phys. Rev. B 81 , 165312 (2010) © doi 10.1103/PhysRevB.81.165312 198" Controlling the conductivity of InN ," , C. G. Van de Walle, J. L. Lyons, and A. Janotti, Phys. Status Solidi A 207 , 1024 (2010) © doi 10.1002/pssa.200983122 197" Properties of In-Doped ZnO Films Grown by Metalorganic Chemical Vapor Deposition on GaN (0001) ," , T. Ben-Yaacov, T. Ive, C. G. Van de Walle, U. K. Mishra, J. S. Speck, and S. P. DenBaars, J. Electron. Mater. 39 , 608 (2010). © doi 10.1007/s11664-009-1022-x 196" Free-carrier absorption in nitrides from first principles ," , E. Kioupakis, P. Rinke, A. Schleife, F. Bechstedt, and C. G. Van de Walle, Phys. Rev. B 81 , 241201 (2010) © doi 10.1103/PhysRevB.81.241201 195" Quantum Computing with Defects ," , J. R. Weber, W. F. Koehl, J. B. Varley, A. Janotti, B. B. Buckley, C. G. Van de Walle, and D. D. Awschalom, Proc. Nat. Acad. Sci. 107 , 8513 (2010) © doi 10.1073/pnas.1003052107 194" Oxidation and the origin of the two-dimensional electron gas in AlGaN/GaN heterostructures ," , M. S. Miao, J. R. Weber, and C. G. Van de Walle, J. Appl. Phys. 107 , 123713 (2010) © doi 10.1063/1.3431391 193" Determination of Internal Loss in Nitride Lasers from First Principles ," , E. Kioupakis, P. Rinke, and C. G. Van de Walle, Appl. Phys. Express 3 , 082101 (2010) © doi 10.1143/APEX.3.082101 192" Group-V impurities in SnO2 from first-principles calculations ," , J. B. Varley, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 81 , 245216 (2010) © doi 10.1103/PhysRevB.81.245216 191" Alternative sources of p-type conduction in acceptor-doped ZnO ," , S. Limpijumnong, L. Gordon, M. Miao, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett. 97 , 072112 (2010) © doi 10.1063/1.3481069 190" Distribution of donor states on etched surface of AlGaN/GaN heterostructures ," , M. Higashiwaki, S. Chowdhury, M. S. Miao, B. L. Swenson, C. G. Van de Walle, and U. K. Mishra, J. Appl. Phys. 108 , 063719 (2010) © doi 10.1063/1.3481412 189" Oxygen vacancies and donor impurities in b-Ga2O3 ," , J. B. Varley, J. R. Weber, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett. 97 , 142106 (2010) © doi 10.1063/1.3499306 188" Carbon impurities and the yellow luminescence in GaN ," , J. L. Lyons, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett. 97, 152108 (2010) © doi 10.1063/1.3492841 187" Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations ," , W. M. Hlaing Oo, S. Tabatabaei, M. D. McCluskey, J. B. Varley, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 82 , 193201 (2010) © doi 10.1103/PhysRevB.82.193201 186" Role of strain in polarization switching in semipolar InGaN/GaN quantum wells ," , Q. Yan, P. Rinke, M. Scheffler, and C. G. Van de Walle, Appl. Phys. Lett. 97 , 181102 (2010) © doi 10.1063/1.3507289 185" Intrinsic and extrinsic causes of electron accumulation layers on InAs surfaces ," , J. R. Weber, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett. 97 , 192106 (2010) © doi 10.1063/1.3518061 184" The electronic structure of b-Ga2O3 ," , M. Mohamed, C. Janowitz, I. Unger, R. Manzke, Z. Galazka, R. Uecker, R. Fornari, J. R. Weber, J. B. Varley, and C. G. Van de Walle, Appl. Phys. Lett. 97 , 211903 (2010) © doi 10.1063/1.3521255 183" Point-defect-mediated dehydrogenation of AlH3 ," , L. Ismer, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett. 97 , 201902 (2010) © doi 10.1063/1.3518475 182" Vibrational signatures of OTe and OTe-VCd in CdTe: A first-principles study ," , J. TThienprasert, S. Limpijumnong, A. Janotti, C. G. Van de Walle, L. Zhang, M. H. Du, and D. J. Singh, Comput. Mater. Sci. 49 , S242 (2010) © 181" Distributed surface donor states and the two-dimensional electron gas at AlGaN/GaN heterojunctions ," , L. Gordon, M. S. Miao, S. Chowdhury, M. Higashiwaki, U. K. Mishra, and C. G. Van de Walle, J. Phys. D 43 , 505501 (2010) © doi 10.1088/0022-3727/43/50/505501 180" Fully ab initio finite-size corrections for charged-defect supercell calculations ," , C. Freysoldt, J. Neugebauer, and C G. Van de Walle, Phys. Rev. Lett. 102 , 016402 (2009) © 179" Defect Formation Energies without the Band-Gap Problem: Combining Density- Functional Theory and the GW Approach for the Silicon Self-Interstitial ," , P. Rinke, A. Janotti, M. Scheffler, and C. G. Van de Walle, Phys. Rev. Lett. 102 , 026402 (2009) © 178" Role of Atomic Multiplets in the Electronic Structure of Rare-Earth Semiconductors and Semimetals ," , L. V. Pourovskii, K. T. Delaney, C. G. Van de Walle, N. A. Spaldin, and A. Georges, Phys. Rev. Lett. 102 , 096401 (2009) © 177" Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials ," , C. G. Van de Walle, A. Peles, A. Janotti, and G. B. Wilson-Short, Physica B 404 , 793 (2009) © doi 0 176" Dissipation-factor-based criterion for the validity of carrier-type identification by capacitance-voltage measurements ," , O. Bierwagen, T. Nagata, T. Ive, C. G. Van de Walle, and J. S. Speck, Appl. Phys. Lett. 94 , 152110 (2009) © 175" Auger recombination rates in nitrides from first principles ," , K. T. Delaney, P. Rinke, and C. G. Van de Walle, Appl. Phys. Lett. 94 , 191109 (2009) © " Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations ," , J. B. Varley, A. Janotti, A. K. Singh, and C. G. Van de Walle, Phys. Rev. B 79 , 245206 (2009) © 173" Point defects in Al2O3 and their impact on gate stacks ," , J. R. Weber, A. Janotti and C. G. Van de Walle, Microel. Eng. 86 , 1756 (2009) © 172" Formation and migration of charged native point defects in MgH2: First-principles calculations ," , M. S. Park, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 80 , 064102 (2009) © 171" First-principles investigations of F and Cl impurities in NaAlH4 ," , G. B. Wilson Short, A. Janotti, A. Peles, and C. G. Van de Walle, J. Alloys Compd. 484 , 347 (2009) © doi 10.1016/j.jallcom.2009.04.091 170" Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN ," , Q. Yan, P. Rinke, M. Scheffler, and C. G. Van de Walle, Appl. Phys. Lett. 95 , 121111 (2009) © doi 10.1063/1.3236533 169" Hydrogen doping in indium oxide: An ab initio study ," , S. Limpijumnong, P. Reunchan, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 80 , 193202 (2009) © doi 10.1103/PhysRevB.80.193202 168" Interactions between hydrogen impurities and vacancies in Mg and Al: A comparative analysis based on density functional theory ," , L. Ismer, M. S. Park, A, Janotti, and C. G. Van de Walle, Phys. Rev. B 80 , 184110 (2009) © doi 10.1103/PhysRevB.80.184110 167" A pathway to p-type wide-band-gap semiconductors ," , A. Janotti, E. Snow, and C. G. Van de Walle, Appl. Phys. Lett. 95 , 172109 (2009) © " Reconstructions and origin of surface states on AlN polar and nonpolar surfaces ," , M. S. Miao, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 80 , 155319 (2009) © doi 10.1103/PhysRevB.80.155319 165" First-principles study of the formation and migration of native defects in NaAlH4 ," , G. B. Wilson-Short, A. Janotti, K. Hoang, A. Peles, and C. G. Van de Walle, Phys. Rev. B 80 , 224102 (2009) © doi 10.1103/PhysRevB.80.224102 164" Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study ," , K. Hoang and C. G. Van de Walle, Phys. Rev. B 80 , 214109 (2009) © doi 10.1103/PhysRevB.80.214109 163" Why nitrogen cannot lead to p-type conductivity in ZnO ," , J. L. Lyons, A. Janotti, and C. G. Van de Walle, Appl. Phys. Lett. 95 , 252105 (2009) © doi 10.1063/1.3274043 162" Role of Si and Ge as impurities in ZnO ," , J. L. Lyons, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 80, 205113 (2009) © doi10.1103/PhysRevB.80.205113 161" Sources of unintentional n-type conductivity in InN ," , A. Janotti and C. G. Van de Walle, Appl. Phys. Lett. 92 , 032104 (2008) © " Computational studies of conductivity in wide-band-gap semiconductors and oxides ," , C. G. Van de Walle, J. Phys.: Condens. Matter 20 , 064230 (2008) © " Optimizing Optical Absorption of TiO2 by Alloying with TiS2 ," , N. Umezawa, A. Janotti, P. Rinke, T. Chikyow, and C. G. Van de Walle, Appl. Phys. Lett. 92 , 041104 (2008) © 158" Mutual Passivation of Electrically Active and Isovalent Impurities in Dilute Nitrides ," , A. Janotti, P. Reunchan, S. Limpijumnong, and C. G. Van de Walle, Phys. Rev. Lett. 100 , 045505 (2008) © 157" Near-infrared absorption and semimetal-semiconductor transition in 2 nm ErAs nanoparticles embedded in GaAs and AlAs ," , M. A. Scarpulla, J. M. O. Zide, J. M. LeBeau, C. G. Van de Walle, A. C. Gossard, and K. T. Delaney, Appl. Phys. Lett. 92 , 173116 (2008) © 156" Carbon-nitrogen molecules in GaAs and GaP ," , S. Limpijumnong, P. Reunchan, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 77 , 195209 (2008) © doi 0 155" Theoretical study of the structural and electronic properties of strained ErAs ," , K. T. Delaney, N. A. Spaldin, and C. G. Van de Walle, Phys. Rev. B 77 , 235117 (2008) © 154" Sources of Electrical Conductivity in SnO2 ," , A. K. Singh, A. Janotti, M. Scheffler, and C. G. Van de Walle, Phys. Rev. Lett. 101 , 055502 (2008) © 153" Electrical activity of hydrogen impurities in GaSb: First-principles calculations ," , A. Peles, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 78 , 035204 (2008) © 152" Step-flow growth of ZnO (0001) on GaN (0001) by metalorganic chemical vapor epitaxy ," , T. Ive, T. Ben-Yaacov, C. G. Van de Walle, U. K. Mishra, S. P. DenBaars, and J. S. Speck, J. Cryst. Growth 310 , 3407 (2008). © 151" Role of hydrogen at germanium/dielectric interfaces ," , C. G. Van de Walle, J. R. Weber, and A. Janotti, Thin Solid Films 517 , 144 (2008) © 150" Causes of incorrect carrier-type identification in van der Pauw–Hall measurements ," , O. Bierwagen, T. Ive, C. G. Van de Walle, and J. S. Speck, Appl. Phys. Lett. 93 , 242108 (2008) © 149" Hydrogen multicenter bonds ," , A. Janotti and C. G. Van de Walle, Nature Materials 6 , 44 (2007) © doi 0 148" Self-consistent band-gap corrections in density functional theory using modified pseudopotentials ," , D. Segev, A. Janotti, and C. G. Van de Walle, Phys. Rev. B 75 , 035201 (2007) © 147" Surface reconstructions on InN and GaN polar and nonpolar surfaces ," , D. Segev and C. G. Van de Walle, Surf. Sci. 601 , L15 (2007) © 146" Electronic structure of nitride surfaces ," , D. Segev and C. G. Van de Walle, J. Cryst. Growth 300 , 199 (2007) © 145" Absolute deformation potentials and band alignment of wurtzite ZnO, MgO, and CdO ," , A. Janotti and C. G. Van de Walle, Phys. Rev. B 75 , 121201 (2007) © 144" Microscopic origins of surface states on nitride surfaces ," , C. G. Van de Walle and D. Segev, J. Appl. Phys. 101 , 081704 (2007) © 143" Native Point Defects in ZnO ," , A. Janotti and C. G. Van de Walle, Phys. Rev. B 76 , 165202 (2007) © 142" Dangling-bond defects and hydrogen passivation in germanium ," , J. Weber, A. Janotti, P. Rinke, and C. G. Van de Walle, Appl. Phys. Lett. 91 , 142101 (2007) © 141" Hydrogen in semiconductors and insulators ," , C. G. Van de Walle, J. Alloys Compd. 446-448 , 48 (2007) © doi 0 140" Hydrogen-related defects in sodium alanate ," , A. Peles and C. G. Van de Walle, J. Alloys Compd. 446-447 , 459 (2007) © 139" Role of charged defects and impurities in kinetics of hydrogen storage materials: A firstprinciples study ," , A. Peles and C. G. Van de Walle, Phys. Rev. B 76 , 214101 (2007) © 138" New insights into the role of native point defects in ZnO ," , A. Janotti and C. G. Van de Walle, J. Cryst. Growth 287 , 58-65 (2006) © 137" Analysis of a conducting channel at the native zinc oxide surface ," , O. Schmidt, A. Geis, P. Kiesel, C. G. Van de Walle, N. M. Johnson, A. Bakin, A. Waag, and G. H. Döhler, Superlatt. Microstructur. 39 , 8 (2006) © 136" Universal alignment of hydrogen levels in semiconductors and insulators ," , C. G. Van de Walle, Physica B 376-377 , 1 (2006) © 135" Effects of cation d states on the structural and electronic properties of III-nitride and II-oxide wide-band-gap semiconductors ," , A. Janotti, D. Segev, and C. G. Van de Walle, Phys. Rev. B 74 , 045202 (2006) © 134" Origins of Fermi-level pinning on GaN and InN polar and nonpolar surfaces ," , D. Segev and C. G. Van de Walle, Europhys. Lett. 76 , 305 (2006) © 133" Hydrogen passivation effect in nitrogen-doped ZnO thin films ," , X. Li, B. Keyes, S. Asher, S. B. Zhang, S.-H. Wei, T. J. Coutts, S. Limpijumnong, and C. G. Van de Walle, Appl. Phys. Lett. 86 , 122107 (2005) © 132" Oxygen vacancies in ZnO ," , A. Janotti and C. G. Van de Walle, Appl. Phys. Lett. 87 , 122102 (2005) © 131" Evidence for an electrically conducting layer at the native zinc oxide surface ," , O. Schmidt, P. Kiesel, C. G. Van de Walle, N. M. Johnson, J. Nause, and G. H. Döhler, Jpn. J. Appl. Phys. Part 1 44 , 7271 (2005) © Prior to UCSB 130"Diffusivity of native defects in GaN ," , S. Limpijumnong and C. G. Van de Walle, Phys. Rev. B 69 , 035207 (2004) © 129"Effects of N on the electronic structures of H defects in III-V semiconductors ," , A. Janotti, S. B. Zhang, Su-Huai Wei, and C. G. Van de Walle, Optical Materials 25 , 261 (2004) © 128"Indium versus hydrogen-terminated GaN (0001) surfaces: Surfactant effect of indium in a chemical vapor deposition environment ," , J. E. Northrup and C. G. Van de Walle, Appl. Phys. Lett. 84 , 4322 (2004). © 127"Identification of hydrogen configurations in p-type GaN through first-principles calculations of vibrational frequencies ," , S. Limpijumnong, J. E. Northrup, and C. G. Van de Walle, Phys. Rev. B 68 , 075206 (2003) © 126"Structure and energetics of nitride surfaces under MOCVD growth conditions ," , C. G. Van de Walle and J. Neugebauer, J. Cryst. Growth 248 , 8 (2003) © 125"Hydrogen as a shallow center in semiconductors and oxides ," , C. G. Van de Walle, phys. stat. sol. (b) 235 , 89 (2003) © 124"Shallow donor state of hydrogen in indium nitride ," , E. A. Davis, S. F. J. Cox, R. L. Lichti, and C. G. Van de Walle, Appl. Phys. Lett. 82 , 592 (2003) © 123"Physics and chemistry of hydrogen in the vacancies of semiconductors ," , B. Szûcs, A. Gali, Z. Hajnal, P. Deák, and C. G. Van de Walle, Phys. Rev. B 68 , 085202 (2003) © 122"Effect of composition on the band gap of strained InxGa1-xN alloys ," , M. D. McCluskey, C. G. Van de Walle, L. T. Romano, B. S. Krusor, and N. M. Johnson, J. Appl. Phys. 93 , 4340 (2003) © 121"Universal alignment of hydrogen levels in semiconductors, insulators and solutions ," , C. G. Van de Walle and J. Neugebauer, Nature 423 , 626 (2003) © 120"Interactions between nitrogen, hydrogen, and gallium vacancies in GaAsN alloys ," , A. Janotti, S. Wei, S. Zhang, S. Kurtz, and C. G. Van de Walle, Phys. Rev. B 67 , 161201 (2003) © 119"Electronic materials theory: Interfaces and defects ," , C. G. Van de Walle, J. Vac. Sci. Technol. A 21 , S182 (2003) © 118"Effects of impurities on the lattice parameters of GaN ," , C. G. Van de Walle, Phys. Rev. B 68 , 165209 (2003) © 117"Stability, diffusivity, and vibrational properties of interstitial hydrogen in wurtzite GaN ," , S. Limpijumnong and C. G. Van de Walle, Phys. Rev. B 68 , 235203 (2003) © 116"First-principles surface phase diagram for hydrogen on GaN surfaces ," , C. G. Van de Walle and J. Neugebauer, Phys. Rev. Lett. 88 , 066103 (2002) © 115"Strategies for controlling the conductivity of wide-band-gap semiconductors ," , C. G. Van de Walle, phys. stat. sol. (b) 229 , 221 (2002) © 114"Theoretical investigation of native defects, impurities and complexes in AlN ," , C. Stampfl and C. G. Van de Walle, Phys. Rev. B 65 , 155212 (2002) © 113"Band gap changes of GaN shocked to 13 GPa ," , M. D. McCluskey, Y. M. Gupta, C. G. Van de Walle, D. P. Bour, M. Kneissl, and N. M. Johnson, Appl. Phys. Lett. 80 , 1912 (2002) © 112"Quantitative analysis of the polarization fields and absorption changes in InGaN/GaN quantum wells with electroabsorption spectroscopy ," , F. Renner, P. Kiesel, G. H. Döhler, M. Kneissl, C. Van de Walle, and N. M. Johnson, Appl. Phys. Lett. 81 , 490 (2002) © 111"Role of hydrogen in surface reconstructions and growth of GaN ," , C. G. Van de Walle and J. Neugebauer, J. Vac. Sci. Technol. B 20 , 1640 (2002) © 110"Effects of hydrogen on the electronic properties of dilute GaAsN alloys ," , A. Janotti, S. B. Zhang, Su-Huai Wei, and C. G. Van de Walle, Phys. Rev. Lett. 89 , 086403 165205 (2002) © 109"Hydrogen-related defects in ZnO studied by infrared absorption spectroscopy ," , E. V. Lavrov, J. Weber, F. Börrnert, C. G. Van de Walle, and R. Helbig, Phys. Rev. B 66 , (2002) © 108"Quantitative analysis of absorption and field-induced absorption changes in InGaN/GaN quantum wells ," , P. Kiesel, F. Renner, M. Kneissl, C. Van de Walle, G. H. Döhler, and N. M. Johnson, phys. stat. sol. 234 , 742 (2002) © 107"Magnesium incorporation in GaN grown by molecular-beam epitaxy ," , A. J. Ptak, T. H. Myers, L. T. Romano, C. G. Van de Walle, and J. E. Northrup, Appl. Phys. Lett. 78, 285 (2001) © 106"First-principles studies of beryllium doping of GaN ," , C. G. Van de Walle, S. Limpijumnong, and J. Neugebauer, Phys. Rev. B 63 , 245205 (2001) © 105"Energy levels of isolated interstitial hydrogen in silicon ," , C. Herring, N. M. Johnson, and C. G. Van de Walle, Phys. Rev. B 64 , 125209 (2001) © "Entropy-driven stabilization of a novel configuration for acceptor-hydrogen complexes in GaN ," , S. Limpijumnong, C. G. Van de Walle, and J. E. Northrup, Phys. Rev. Lett. 87 , 205505 (2001) © 103"Influence of microstucture on the carrier concentration of Mg-doped GaN films ," , L. T. Romano, M. Kneissl, J. E. Northrup, C. G. Van de Walle, and D. W. Treat, Appl. Phys. Lett. 79, 2734 (2001) © 102" Passivation and doping due to hydrogen in III-nitrides ," , S. Limpijumnong and C. G. Van de Walle, phys. stat. sol. (b) 228 , 303 (2001) © doi 0 101" Defect analysis and engineering in ZnO ," , C. G. Van de Walle, Physica B 308-310 , 899 (2001) © doi 0 100" First-principles study of native point defects in ZnO ," , A. F. Kohan, G. Ceder, D. Morgan, and C. G. Van de Walle, Phys. Rev. B 61 , 15019 (2000) © 99" Native defects and impurities in InN: First-principles studies using the local-density approximation and self-interaction and relaxation-corrected pseudopotentials ," , C. Stampfl, C. G. Van de Walle, D. Vogel, P. Kroeger, and J. Pollmann, Phys. Rev. B 61 , R7846 (2000) © 98" Arsenic impurities in GaN ," , C. G. Van de Walle and J. Neugebauer, Appl. Phys. Lett. 76 , 1009 (2000) © 97" Design and performance of asymmetric waveguide nitride laser diodes ," , D. P. Bour, M. Kneissl, C. G. Van de Walle, G. A. Evans, L. T. Romano, J. E. Northrup, M. Teepe, R. M. Wood, T. Schmidt, and N. M. Johnson, IEEE J. Quantum Electron. 36 , 184 (2000) © 96" Performance and optical gain characteristic of InGaN MQW laser diodes ," , M. Kneissl, C. G. Van de Walle, D. P. Bour, L. T. Romano, L. L. Goddard, C. P. Master, J. E. Northrup, and N. M. Johnson, Journal of Luminescence 87-89 , 135 (2000) © 95" Microscopic theory of hydrogen in silicon devices ," , C. G. Van de Walle and B. Tuttle, IEEE Transactions on Electron Devices 47 , 1779 (2000) © 94" Hydrogen as a cause of doping in ZnO ," , C. G. Van de Walle, Phys. Rev. Lett. 85 , 1012 (2000) © 93" The effect of Si doping on strain, cracking, and microstructure in GaN thin films grown by metalorganic chemical vapor deposition ," , L. T. Romano, C. G. Van de Walle, J. W. Ager III, W. Götz, and R. S. Kern, J. Appl. Phys. 87 , 7745 (2000) © 92" Polycrystalline nitride semiconductor light-emitting diodes fabricated on quartz substrates ," , D. P. Bour, N. M. Nickel, C. G. Van de Walle, M. S. Kneissl, B. S. Krusor, Ping Mei, and N. M. Johnson, Appl. Phys. Lett. 76 , 2182 (2000) © 91" Performance and degradation of continuous-wave InGaN multiple-quantum-well laser diodes on epitaxially laterally overgrown GaN substrates ," , M. Kneissl, D. P. Bour, L. T. Romano, C. G. Van de Walle, J. E. Northrup, W. S. Wong, D. W. Treat, M. Teepe, T. Schmidt, and N. M. Johnson, Appl. Phys. Lett. 77, 1931 (2000) © 90" Chemical trends for acceptor impurities in GaN ," , J. Neugebauer and C. G. Van de Walle, J. Appl. Phys. 85 , 3003 (1999) © 89" Exchange of deeply trapped and interstitial hydrogen in silicon ," , B. Tuttle, C. G. Van de Walle, and J. B. Adams, Phys. Rev. B 59 , 5493 (1999) © 88" MOCVD growth and characterization of AlGaInN multiple quantum well heterostructures and laser diodes ," , D. P. Bour, M. Kneissl, D. Hofstetter, L. T. Romano, M. McCluskey, C. G. Van de Walle, B. S. Krusor, C. Dunnrowicz, R. Donaldson, J. Walker, and N. M. Johnson, Materials Science and Engineering B 59 , 33 (1999) © 87" Doping of AlxGa1-xN alloys ," , C. Stampfl, J. Neugebauer, and C. G. Van de Walle, Materials Science and Engineering B 59 , 253 (1999) © 86" Large and composition-dependent band-gap bowing in InxGa1-xN alloys ," , C. G. Van de Walle, M. D. McCluskey, C. P. Master, L. T. Romano, and N. M. Johnson, Materials Science and Engineering B 59 , 274 (1999) © 85" Energetics and vibrational frequencies of interstitial H2 molecules in semiconductors ," , C. G. Van de Walle and J. Goss, Materials Science and Engineering B 58 , 17 (1999) © 84" Structure, energetics, and vibrational properties of Si-H bond dissociation in silicon ," , B. Tuttle and C. G. Van de Walle, Phys. Rev. B. 59 , 12884 (1999) © 83" Density-functional calculations for III-V nitrides using the local density approximation and the generalized gradient approximation ," , C. Stampfl and C. G. Van de Walle, Phys. Rev. B 59 , 5521 (1999) © 82" DX centers in AlGaN ," , M. D. McCluskey, C. G. Van de Walle, N. M. Johnson, D. P. Bour, and M. Kneissl, Int. J. Modern Physics B 13 , 1363 (1999) © 81" Defects and defect reactions in semiconductor nitrides ," , C. G. Van de Walle, J. Neugebauer, C. Stampfl, M. D. McCluskey, and N. M. Johnson, Acta Physica Polonica A 96 , 613 (1999) © 80" Room-temperature continuous-wave operation of InGaN multiple quantum well laser diodes with an asymmetric waveguide structure ," , M. Kneissl, D. P. Bour, C. G. Van de Walle, L. T. Romano, J. E. Northrup, R. M. Wood, M. Teepe, and N. M. Johnson, Appl. Phys. Lett. 75 , 581 (1999) © 79" Room-temperature continuous-wave operation of InGaN multiple quantum well laser diodes with an asymmetric waveguide structure ," , M. Kneissl, D. P. Bour, C. G. Van de Walle, L. T. Romano, J. E. Northrup, R. M. Wood, M. Teepe, T. Schmidt, and N. M. Johnson, phys. stat. sol. (a) 176 , 49 (1999) © 78" Effect of Si doping on the strain and defect structure of GaN thin films ," , L. T. Romano, C. G. Van de Walle, B. S. Krusor, R. Lau, J. Ho, T. Schmidt, J. W. Ager III, W. Götz, and R. S. Kern, Physica B 273-274 , 50 (1999) © " Phase separation in InGaN multiple quantum wells annealed at high nitrogen pressures ," , L.T. Romano, M. D. McCluskey, C. G. Van de Walle, J. E. Northrup, D. P. Bour, M. Kneissl, T. Suski, and J. Jun, Appl. Phys. Lett. 75 , 3950 (1999) © 76" Clean and As-covered zinc-blende GaN (001) surfaces: novel structures and surfactant behavior ," , J. Neugebauer, T. Zywietz, M. Scheffler, J. E. Northrup, and C. G. Van de Walle, Phys. Rev. Lett. 80 , 3097 (1998). © 75" Hydrogen states in silicon ," , C. G. Van de Walle, J. Non-Cryst. Solids 227-230 , 111 (1998) © 74" DX center formation in wurtzite and zinc-blende AlGaN ," , C. G. Van de Walle, Phys. Rev. B 57 , 2033 (1998) © 73" Energetics and vibrational frequencies of interstitial H2 molecules in semiconductors ," , C. G. Van de Walle, Phys. Rev. Lett. 80 , 2177 (1998) © 72" Doping of AlxGa1-xN ," , C. Stampfl and C. G. Van de Walle, Appl. Phys. Lett. 72 , 459 (1998) © 71" Theory of doping and defects in III-V nitrides ," , C. G. Van de Walle, C. Stampfl, and J. Neugebauer, J. Cryst. Growth 189/190 , 505 (1998) © 70" Hydrogen in silicon: fundamental properties and consequences for devices ," , C. G. Van de Walle, J. Vac. Sci. Technol. A 16 , 1767 (1998) © 69" Energetics and electronic structure of stacking faults in AlN, GaN, and InN ," , C. Stampfl and C. G. Van de Walle, Phys. Rev. B 57 , R15052 (1998) © 68" Metastability of oxygen donors in AlGaN ," , M. D. McCluskey, N. M. Johnson, C. G. Van de Walle, D. P. Bour, M. Kneissl, and W. Walukiewicz, Phys. Rev. Lett. 80 , 4008 (1998) © 67" Characteristics of InGaN/AlGaN multiple quantum well laser diodes ," , D. P. Bour, M. Kneissl, L. T. Romano, M. McCluskey, C. G. Van de Walle, B. S. Krusor, R. Donaldson, J. Walker, C. Dunnrowicz, and N. M. Johnson, IEEE J. Select. Topics Quantum Electron. 4 , 498 (1998) © 66" Large band-gap bowing of InxGa1-xN alloys ," , M. D. McCluskey, C. G. Van de Walle, C. P. Master, L. T. Romano, and N. M. Johnson, Appl. Phys. Lett. 72 , 2725 (1998) © 65" Surface structures, surfactants and diffusion at cubic and wurtzite GaN ," , T. K. Zywietz, J. Neugebauer, M. Scheffler, J. E. Northrup, and C. G. Van de Walle, MRS Internet Journal for Nitride Research 3 , 26 (1998) © 64" Comment on 'Surface silicon-deuterium bond energy from gas-phase equilibration' ," , C. Herring and C. G. Van de Walle, Phys. Rev. B. 55 , 13 314 (1997) © 63" Small valence-band offsets at GaN/InGaN heterojunctions ," , C. G. Van de Walle and J. Neugebauer, Appl. Phys. Lett. 70 , 2577 (1997) © 62"Defects and doping in GaN ," , C. G. Van de Walle, Braz. J. Phys. 27/A , 74 (1997) © 61"Interactions of hydrogen with native defects in GaN ," , C. G. Van de Walle, Phys. Rev. B 56 , R10 020 (1997) © 60"'Stretched exponential' relaxation modeled without invoking statistical distributions ," , C. G. Van de Walle, Phys. Rev. B. 53 , 11292 (1996) © 59"Defects, impurities and doping levels in wide-band-gap semiconductors ," , C. G. Van de Walle and J. Neugebauer, Brazilian Journal of Physics 26 , 163 (1996) © 58"Atomic arrangement at the AlN/SiC interface ," , F. A. Ponce, C. G. Van de Walle, and J. E. Northrup, Phys. Rev. B 53 , 7473 (1996) © 57"Role of hydrogen in doping of GaN ," , J. Neugebauer and C. G. Van de Walle, Appl. Phys. Lett. 68 , 1829 (1996) © 56"Gallium vacancies and the yellow luminescence in GaN ," , J. Neugebauer and C. G. Van de Walle, Appl. Phys. Lett. 69 , 503 (1996) © 55"Comment on 'Reduction of hot electron degradation in metal oxide semiconductor transistors by deuterium processing' ," , C. G. Van de Walle and W. B. Jackson, Appl. Phys. Lett. 69 , 2441 (1996) © 54"Silicon-hydrogen bonding and hydrogen diffusion in amorphous silicon ," , C. G. Van de Walle and R. A. Street, Phys. Rev. B 51 , 10 615 (1995) © 53"Energetics of bond-centered hydrogen in strained Si-Si bonds ," , C. G. Van de Walle and N. H. Nickel, Phys. Rev. B 51 , 2636 (1995) © 52"Nitrogen doping in ZnTe and ZnSe ," , C. G. Van de Walle and D. B. Laks, Solid State Communications 93 , 447 (1995) © 51"Electronic structure and phase stability of GaAs1-xNx alloys ," , J. Neugebauer and C. G. Van de Walle, Phys. Rev. B 51 , 10 568 (1995) © 50"Band discontinuities at heterojunctions between crystalline and amorphous silicon ," , C. G. Van de Walle and L. H. Yang, J. Vac. Sci. Technol. B 13 , 1635 (1995) © 49"Hydrogen in GaN: novel aspects of a common impurity ," , J. Neugebauer and C. G. Van de Walle, Phys. Rev. Lett. 75 , 4452 (1995) © 48"Native defects and impurities in GaN ," , J. Neugebauer and C. G. Van de Walle, Advances in Solid State Physics, Vol. 35 , ed. by R. Helbig (Vieweg, Braunschweig/Wiesbaden, 1996), p. 25. © 47"Comment on 'Inverted order of acceptor and donor levels of monatomic hydrogen in silicon' ," , N. M. Johnson, C. Herring, and C. G. Van de Walle, Phys. Rev. Lett. 74 , 4566 (1995) © 46"Hydrogen interactions with self-interstitials in silicon ," , C. G. Van de Walle and J. Neugebauer, Phys. Rev. B 52 , R14 320 (1995) © 45"Energies of various configurations of hydrogen in silicon ," , C. G. Van de Walle, Phys. Rev. B 49 , 4579 (1994) © 44"Structure, energetics, and dissociation of Si-H bonds at dangling bonds in silicon ," , C. G. Van de Walle and R. A. Street, Phys. Rev. B 49 , 14 766 (1994) © 43"Hydrogen-induced metastable changes in the electrical conductivity of polycrystalline silicon ," , N. H. Nickel, N. M. Johnson, and C. G. Van de Walle, Phys. Rev. Lett. 72 , 3393 (1994) © 42"Inverted order of acceptor and donor levels of monatomic hydrogen in silicon ," , N. M. Johnson, C. Herring, and C. G. Van de Walle, Phys. Rev. Lett. 73 , 130 (1994) © 41"Electron paramagnetic resonance of molecular hydrogen in silicon ," , K. L. Brower, S. M. Myers, A. H. Edwards, N. M. Johnson, C. G. Van de Walle, and E. H. Poindexter, Phys. Rev. Lett. 73 , 1456 (1994) © 40"Atomic geometry and electronic structure of native defects in GaN ," , J. Neugebauer and C. G. Van de Walle, Phys. Rev. B 50 , 8067 (1994) © 39"First-principles calculations of solubilities and doping limits: Li, Na, and N in ZnSe ," , C. G. Van de Walle, D. B. Laks, G. F. Neumark, and S. T. Pantelides, Phys. Rev. B 47 , 9425 (1993) © 38"First-principles calculations of hyperfine parameters ," , C. G. Van de Walle and P. E. Blöchl, Phys. Rev. B 47 , 4244 (1993) © 37"Spin-polarized calculations and hyperfine parameters for hydrogen and muonium in GaAs ," , C. G. Van de Walle and L. Pavesi, Phys. Rev. B 47 , 4256 (1993) © 36"Doping limits in ZnSe ," , D. B. Laks and C. G. Van de Walle, Physica B 185 , 118 (1993) © 35"First-principles investigation of visible light emission from silicon-based materials ," , C. G. Van de Walle and J. E. Northrup, Phys. Rev. Lett. 70 , 1116 (1993) © 34"Acceptor doping in ZnSe versus ZnTe ," , D. B. Laks, C. G. Van de Walle, G. F. Neumark, and S. T. Pantelides, Appl. Phys. Lett. 63 , 1375 (1993) © 33"Theory of defects, impurities, and doping in ZnSe ," , C. G. Van de Walle and D. B. Laks, J. Lumin. 52 , 1 (1992) © 32"Native defects and self-compensation in ZnSe ," , D. B. Laks, C. G. Van de Walle, G. F. Neumark, P. E. Blöchl, and S. T. Pantelides, Phys. Rev. B 45 , 10965 (1992) © 31"Solubilities, defect reactions, and doping limits in ZnSe ," , C. G. Van de Walle, D. B. Laks, G. F. Neumark, and S. T. Pantelides, J. Crystal Growth 117 , 704 (1992) © 30"Theoretical aspects of hydrogen in crystalline semiconductors ," , C. G. Van de Walle, Physica B 170 , 21 (1991) © 29"Role of native defects in wide band-gap semiconductors ," , D. B. Laks, C. G. Van de Walle, G. F. Neumark, and S. T. Pantelides, Phys. Rev. Lett. 66 , 648 (1991) © 28"Atomic and electronic structure of CaSi2/Si interfaces ," , C. G. Van de Walle, Phys. Rev. B 43 , 11913 (1991) © 27"Microscopic structure of the hydrogen-phosphorous complex in crystalline silicon ," , P. J. H. Denteneer, C. G. Van de Walle, and S. T. Pantelides, Phys. Rev. B 41 3885 (1990) © 26"Structural identification of hydrogen and muonium centers in silicon: First-principles calculations of hyperfine parameters ," , C. G. Van de Walle, Phys. Rev. Lett. 64 , 669 (1990) © 25"First-principles calculations of diffusion coefficients: hydrogen in silicon ," , P. E. Blöchl, C. G. Van de Walle, and S. T. Pantelides, Phys. Rev. Lett. 64 , 1401 (1990) © 24"Effects of strain on the optical and vibrational properties of ZnSe-ZnSxSe1-x strainedlayer superlattices ," , K. Shahzad, D. J. Olego, C. G. Van de Walle, and D. A. Cammack, J. Lumin. 46 , 109 (1990) © 23"Band lineups and deformation potentials in the model-solid theory ," , C. G. Van de Walle, Phys. Rev. B 39 , 1871 (1989) © 22"Mechanisms of equilibrium and nonequilibrium diffusion of dopants in silicon ," , C. S. Nichols, C. G. Van de Walle, and S. T. Pantelides, Phys. Rev. Lett. 62 , 1049 (1989) © 21"Atomic and electronic structure of Si-Ge superlattices ," , C. G. Van de Walle, Phys. Rev. Lett. 62 , 974 (1989) © 20"Structure and properties of hydrogen-impurity pairs in elemental semiconductors ," , P. J. H. Denteneer, C. G. Van de Walle, and S. T. Pantelides, Phys. Rev. Lett. 62 , 1884 © 19"<Absolute deformation potentials: formulation and ab initio calculations for semiconductors ," , C. G. Van de Walle and R. M. Martin, Phys. Rev. Lett. 62 , 2028 (1989) © 18"Theory of hydrogen diffusion and reactions in crystalline silicon ," , C. G. Van de Walle, P. J. H. Denteneer, Y. Bar-Yam, and S. T. Pantelides, Phys. Rev. B 39 , 10791 (1989) © 17"Microscopic structure of the hydrogen-boron complex in crystalline silicon ," , P. J. H. Denteneer, C. G. Van de Walle, and S. T. Pantelides, Phys. Rev. B 39 , 10809 (1989) © 16"Properties of hydrogen in crystalline silicon under compression and tension ," , C. S. Nichols, D. R. Clarke, and C. G. Van de Walle, Phys. Rev. Lett. 63 , 1090 (1989) © 15"Mechanisms of dopant impurity diffusion in silicon ," , C. S. Nichols, C. G. Van de Walle, and S. T. Pantelides, Phys. Rev. B 40 , 5484 (1989) © 14"Comment on `Heterojunction valence-band-discontinuity dependence on face orientation' ," , C. G. Van de Walle and R. M. Martin, Phys. Rev. B 37 , 4801 (1988) © 13"Theoretical investigations of fluorine-silicon systems ," , C. G. Van de Walle, Y. Bar- Yam, F. R. McFeely, and S. T. Pantelides, J. Vac. Sci. Technol. A 6 , 1973 (1988) © 12"Theory of hydrogen diffusion and reactions in crystalline silicon ," , C. G. Van de Walle, Y. Bar-Yam, and S. T. Pantelides, Phys. Rev. Lett. 60 , 2761 (1988) © 11"Optical characterization and band offsets in ZnSe-ZnSxSe1-x strained-layer superlattices ," , K. Shahzad, D. J. Olego, and C. G. Van de Walle, Phys. Rev. B 38 , 1417 (1988) © 10"Strained-layer interfaces between II-VI compound semiconductors ," , C. G. Van de Walle, K. Shahzad, and D. J. Olego, J. Vac. Sci. Technol. B 6 , 1350 (1988) © 9"Fluorine-silicon reactions and the etching of crystalline silicon ," , C. G. Van de Walle, F. R. McFeely, and S. T. Pantelides, Phys. Rev. Lett. 61 , 1867 (1988) © 8"Electronic properties of the (100) Si/Ge strained-layer superlattices ," , S. Satpathy, R. M. Martin, and C. G. Van de Walle, Phys. Rev. B 38 , 13237 (1988). © 7"Theoretical study of band offsets at semiconductor interfaces ," , C. G. Van de Walle and R. M. Martin, Phys. Rev. B 35 , 8154 (1987) © 6"Band offsets at interfaces between HgTe, CdTe, and InSb ," , C. G. Van de Walle and R. M. Martin, J. Vac. Sci. Technol. B 5 , 1225 (1987) © 5"Strain and the interpretation of band-lineup measurements ," , J. Tersoff and C. G. Van de Walle, Phys. Rev. Lett. 59 , 946 (1987) © 4"Theoretical calculations of heterojunction discontinuities in the Si/Ge system ," , C. G. Van de Walle and R. M. Martin, Phys. Rev. B 34 , 5621 (1986) © 3"Theoretical calculations of semiconductor heterojunction discontinuities ," , C. G. Van de Walle and R. M. Martin, J. Vac. Sci. Technol. B 4 , 1055 (1986) © 2"Theoretical study of Si/Ge interfaces ," , C. G. Van de Walle and R. M. Martin, J. Vac. Sci. Technol. B 3 , 1256 (1985) © 1"The significance of interference effects in thin film Cu2S/CdS solar cells ," , C. G. Van de Walle and P. De Visschere, Solar Cells 9 , 353 (1983) ©
11"Theory of native point defects and impurities in InN," , A. Janotti and C. G. Van de Walle, Chapter 11 in Indium Nitride and Related Alloys, edited by T. D. Veal, C. F. McConville, and W. J. Schaff (CRC Press, Boca Raton, 2010). ©10"Theory of InN surfaces ," , C. G. Van de Walle, Chapter 13 in Indium Nitride and Related Alloys, edited by T. D. Veal, C. F. McConville, and W. J. Schaff (CRC Press, Boca Raton, 2010). ©Prior to UCSB 9"Electrical Conductivity Control," , C. G. Van de Walle, Chapter 3 in Introduction to Nitride Semiconductor Blue Lasers and Light Emitting Diodes, edited by S. Nakamura and S. F. Chichibu (Taylor and Francis, London, 2000), pp. 67-103. © 8" Hydrogen interaction with polycrystalline and amorphous silicon - theory ," , N. M. Johnson and C. G. Van de Walle, Gallium Nitride (GaN) II, edited by J. I. Pankove and T. D. Moustakas, Semiconductors and Semimetals, Vol. 57, Treatise Editors R. K. Willardson and E. R. Weber (Academic Press, Boston, 1999), p. 157. © 7" Theory of hydrogen in GaN ," , J. Neugebauer and C. G. Van de Walle, Hydrogen in Semiconductors II, edited by N. H. Nickel, Semiconductors and Semimetals, Vol. 61,Treatise Eds. R. K. Willardson and E. R. Weber (Academic Press, Boston, 1999), p. 479. © 6" Isolated monatomic hydrogen in silicon ," , C. G. Van de Walle, Hydrogen in Semiconductors II, edited by N. H. Nickel, Semiconductors and Semimetals, Vol. 61, Treatise Editors R. K. Willardson and E. R. Weber (Academic Press, Boston, 1999), p. 13. © 5" Hydrogen in III-V nitrides ," , C. G. Van de Walle and N. M. Johnson, Gallium Nitride (GaN) II, edited by J. I. Pankove and T. D. Moustakas, Semiconductors and Semimetals,Vol. 57, Treatise Editors R. K. Willardson and E. R. Weber (Academic Press, Boston,1998), p. 157. © 4" Doping of wide-band-gap II-VI semiconductors - Theory ," , C. G. Van de Walle, II-VI pn junction blue/green light emitters, edited by R. L. Gunshor and A. Nurmikko, Semiconductors and Semimetals, Vol. 44, Treatise Editors R. K. Willardson and A. C. Beer(Academic Press, Boston, 1997), p. 121. © 3"First-principles calculations of light emission from silicon-based materials ," , C. G. Van de Walle and J. E. Northrup, Porous Silicon, edited by Z. C. Feng and R. Tsu (World Scientific Publishing Co. Inc, Singapore, 1994), p. 329. © 2"Hydrogen in crystalline semiconductors ," , C. G. Van de Walle, Deep Centers in Semiconductors, 2nd edition, edited by S. T. Pantelides (Gordon and Breach Science Publishers, Philadelphia, 1992), p. 899. © 1"Theory of isolated interstitial hydrogen and muonium in crystalline semiconductors ," , C. G. Van de Walle, Hydrogen in Semiconductors, edited by J. I. Pankove and N. M. Johnson, Semiconductors and Semimetals, Vol. 34, Treatise Editors R. K. Willardson and A. C. Beer (Academic Press, Boston, 1991), p. 585. ©
10"Fundamentals of zinc oxide as a semiconductor ," , A. Janotti and C. G. Van de Walle, Rep. Prog. Phys. 72 , 126501 (2009) © 9"Hydrogen in semiconductors ," , C. G. Van de Walle and J. Neugebauer, Annu. Rev. Mater. Res. 36 , 179 (2006) © 8"Defects and Impurities in Semiconductors ," , C. G. Van de Walle, Handbook of Materials Modeling, edited by S. Yip (Springer, 2005), pp. 1877-1888. ©Prior to UCSB 7"First-principles calculations for defects and impurities: Applications to III-nitrides ," , C. G. Van de Walle and J. Neugebauer, J. Appl. Phys. 95 , 3851 (2004) © 6"Point Defects and Impurities in III-Nitride Bulk and Thin Film Heterostructures ," , C. G. Van de Walle, Encyclopedia of Materials: Science and Technology Vol. 7, 7124 (Pergamon, Amsterdam, 2001). © 5"Strain effects on the valence-band structure of SiGe ," ,C. G. Van de Walle, Properties of Silicon Germanium and SiGe:Carbon, edited by E. Kasper and K. Lyutovich, EMIS Datareview Series No. 24 (INSPEC, IEE, 2000), pp. 135-139, 140-143, 149-157. © 4"Strain effects on the valence-band structure of SiGe ," ,C. G. Van de Walle, Properties of Strained and Relaxed SiGe, edited by E. Kasper, EMIS Datareview Series No. 12 (INSPEC, IEE, 1995), pp. 94-98, 99-102, 110-115. ©3"Native defects, impurities, and doping in GaN and related compounds: general remarks ," , C. G. Van de Walle, Properties, Processing and Applications of Gallium Nitride and Related Semiconductors, edited by J. Edgar, S. Strite, I. Akasaki, H. Amano, and C. Wetzel, EMIS Datareview Series No. 23 (INSPEC, IEE, 1999), pp. 275-280; © 2"Heterojunction band offset engineering ," , A. Franciosi and C. G. Van de Walle, Surf. Sci. Rep. 25 , 1 (1996) © 1"Condensed-Matter Physics ," , C. G. Van de Walle, 1995 Yearbook of Science and the Future, edited by David Calhoun (Encyclopaedia Britannica, Chicago, 1994), p.405. ©
61"Hydrogen in oxides and nitrides: unexpected physics and impact on devices ," , C. G. Van de Walle and A. Janotti, Proceedings of the 11th Europhysical Conference on Defects in Insulating Materials (EURODIM 2010) (IOP Publishing), IOP Conf. Series: Mater. Sci. Eng. 15 , 012001 (2010) © doi 10.1088/1757-899X/15/1/012001 60"Properties of ZnO(0001) layers grown by metalorganic chemical vapor deposition on GaN(0001) templates ," , T. Ive, T. Ben-Yaacov, H. Asamizu, C. G. Van de Walle, U. Mishra, S. P. DenBaars, and J. S. Speck, phys. stat. sol. (c) 5 , 1733 (2008). © 59"Metalorganic chemical vapor deposition of ZnO (0001) thin films on GaN(0001) templates and ZnO(0001) substrates ," , T. Ive, T. Ben-Yaacov, A. Murai, H. Asamizu, C. G. Van de Walle, U. Mishra, S. P. DenBaars, and J. S. Speck, phys. stat. sol. (c) 5 , 3091 (2008). © 58"Theory of hydrogen-related levels in semiconductors and oxides ," , C. G. Van de Walle, IEEE International Electron Devices Meeting (IEDM) Technical Digest, 2005, p. 400. ©Prior to UCSB 57"Theory of impurities and defects in III-nitrides: Vacancies in GaN and related materials ," , C. G. Van de Walle, Proceedings of the International Conference on Silicon Carbide and Related Materials, Raleigh, North Carolina, 1999, edited by C. H. Carter, Jr., R. P. Devaty, and G. S. Rohrer, Mat. Sci. Forum 338-342 (Trans Tech, Z‚Äö√†√∂¬¨‚à´rich, 2000), p. 1561. © 56"Controlling the conductivity of wide-band-gap semiconductors ," , C. G. Van de Walle and J. Neugebauer, Proceedings of the 25th International Conference on the Physics of Semiconductors, Osaka, 2000, edited by N. Miura and T. Ando (Springer, Berlin, 2001), p. 3. © 55" Effects of ionicity on defect physics of wide-band-gap semiconductors ," , C. G. Van de Walle Proceedings of the International Conference on Silicon Carbide and Related Materials, Lyon, France, October 5-10, 2003, edited by R. Madar, J. Camassel and E. Blanquet, Mater. Sci. Forum 457-460 , pp. 15-20 (2004) © 54" Direct determination of the built-in polarization field in InGaN/GaN quantum wells ," , R. Schmidt, P. Kiesel, M. Kneissl, C. G. Van de Walle, N.M. Johnson, F. Renner, and G. H. Döhler, Proceedings of SIMC-XII-2002 (Semiconducting and Insulating Materials Conference), IEEE Catalog Number: 02CH37343 (ISBN: 0-7803-7418-5), 48-51 (2003) © 53" Vibrational spectroscopy of GaN:Mg under pressure ," , M. D. McCluskey, K. K. Zhuravlev, M. Kneissl, W. Wong, D. Treat, S. Limpijumnong, C. G. Van de Walle, and N. M. Johnson, GaN and Related Alloys, edited by J. E. Northrup, J. Neugebauer, S. F. Chichibu, D. C. Look, and H. Riechert, Materials Research Society Symposium Proceedings, Vol. 693 , I2.4 (2002) © 52" Novel configuration of Mg-H complexes in GaN ," , S. Limpijumnong, J. E. Northrup, and C. G. Van de Walle, GaN and Related Alloys, edited by J. E. Northrup, J. Neugebauer, S. F. Chichibu, D. C. Look, and H. Riechert, Materials Research Society Symposium Proceedings, Vol. 693 , I2.5 (2002) © 51" Effects of stoichiometry on point defects and impurities in gallium nitride ," , C. G. Van de Walle, J. E. Northrup, and J. Neugebauer, Proceedings of the 4th Symposium on Non-Stoichiometric III-V Compounds, Asilomar, CA, October 2-4, 2002, edited by P. Specht, T. R. Weatherford, P. Kiesel, T. Marek, and S. Malzer (Friedrich-Alexander- Universität, Erlangen-Nurnberg 2002), p. 11. © 50" Hydrogen interactions with semiconductors and oxides ," , C. G. Van de Walle, Proceedings of the International Workshop on Hydrogen in Materials and Vacuum Systems,Jefferson Lab, Newport News, Virginia, November 11-13, 2002, edited by G. R. Myneniand S. Chattopadhyay, AIP Conference Proceedings Vol. 671 (Melville, New York,2003), p. 33. © 49" Stability, diffusion, and complex formation of beryllium in wurtzite GaN ," , S. Limpijumnong, C. G. Van de Walle, and J. Neugebauer, GaN and Related Alloys, edited by U. Mishra, M. S. Shur, C. M. Wetzel, B. Gil, and K. Kishino, Materials Research Society Symposium Proceedings, Vol. 639 , G4.3 (2001) © 48" Performance characteristics of cw InGaN multiple-quantum-well laser diodes ," , M. Kneissl, W. S. Wong, C. G. Van de Walle, J. E. Northrup, D. W. Treat, M. Teepe, N. Miyashita, P. Kiesel, and N. M. Johnson, GaN and Related Alloys, edited by U. Mishra, M. S. Shur, C. M. Wetzel, B. Gil, and K. Kishino, Materials Research Society Symposium Proceedings, Vol. 639 , G10.6 (2001) © 47" New insights in doping of III-nitrides and their alloys ," , C. G. Van de Walle and J. Neugebauer, Proceedings of the 26th International Symposium on Compound Semiconductors, edited by K. H. Ploog, G. Tränkle, and G. Weimann, Inst. Phys. Conf. Ser. No. 166 , p. 439 (2000) © 46" Isolated hydrogen in silicon – a large negative-U system ," , N. M. Johnson, C. Herring, and C. G. Van de Walle, Proceedings of the 22th International Conference on the Physics of Semiconductors, Vancouver, 1994, edited by D. J. Lockwood (World Scientific Publishing Co Pte Ltd., Singapore), p. 2227. © 45" Doping of AlGaN alloys ," , C. G. Van de Walle, C. Stampfl, J. Neugebauer, M. D. McCluskey, and N. M. Johnson, GaN and Related Alloys, edited by C. R. Abernathy and B. Monemar, Materials Research Society Symposia Proceedings, Vol. 537 (Materials Research Society, Pittsburgh, Pennsylvania, 1998); MRS Internet J. Nitride Semicond. Res. 4S1 , G10.4 (1999) MRS Symposia Proceedings, Vol. 537, G10.4 © 44" Theory of hydrogen interactions with amorphous silicon ," , C. G. Van de Walle and B. Tuttle, Amorphous and Heterogeneous Silicon Thin Films -- Fundamentals to Devices, edited by H. M. Branz, R. W. Collins, H. Okamoto, S. Guha, and R. Schropp, MRS Symposia Proceedings, Vol. 557 (MRS, Pittsburgh, Pennsylvania, 1999), p. 275. © 43" Theoretical study of native point defects in AlN and InN ," , C. Stampfl and C. G. Van de Walle, Nitride Semiconductors, edited by F. A. Ponce, S. P. DenBaars, B. K. Meyer, S. Nakamura, and S. Strite, Materials Research Society Symposia Proceedings, Vol. 482 (Materials Research Society, Pittsburgh, Pennsylvania, 1998), p. 905. © 42" Defects, doping and interfaces in III-V nitrides ," , C. G. Van de Walle, Physics and Simulation of Optoelectronic Devices VI, edited by M. Osinski, P. Blood, and A. Ishibashi,SPIE Proc. Volume 3283 (SPIE, Bellingham, 1998), p. 52. © 41" Theory of hydrogen in semiconductors ," , C. G. Van de Walle, Hydrogen in Semiconductors and Metals, edited by R. C. Bowman, W. B. Jackson, R. G. Leisure, and N. H.Nickel, MRS Symposia Proceedings, Vol. 513 (MRS, Pittsburgh, Pennsylvania, 1998), p.55. © 40" Evidence for oxygen DX centers in AlGaN ," , M. D. McCluskey, N. M. Johnson, C. G. Van de Walle, D. P. Bour, M. Kneissl, and W. Walukiewicz, Wide-Bandgap Semiconductors for High Power, High Frequency and High Temperature, edited by S. DenBaars, J. Palmour, M. Shur, and M. Spencer, Materials Research Society Symposia Proceedings, Vol. 512 (MRS, Pittsburgh, Pennsylvania, 1998), p. 531. © 39" Theory of point defects and interfaces ," , C. G. Van de Walle and J. Neugebauer , III-V Nitrides, edited by F. A. Ponce, T. D. Moustakas, I. Akasaki, and B. A. Monemar, MaterialsResearch Society Symposia Proceedings, Vol. 449 (Materials Research Society,Pittsburgh, Pennsylvania, 1997), p. 861. © 38" Defects and doping in III-V nitrides ," , C. G. Van de Walle and J. Neugebauer, Proceedings of the 19th International Conference on Defects in Semiconductors, Aveiro,Portugal, 1997, edited by G. Davies and M. H. Nazaré, Mat. Sci. Forum 258-263 , (TransTech, Zurich, 1997), p. 19. © 37" Hydrogen in GaN ," , N. M. Johnson, W. Götz, J. Neugebauer and C. G. Van de Walle, Gallium Nitride and Related Materials, edited by R. D. Dupuis, J. A. Edmond, F. A. Ponce, and S. Nakamura, Materials Research Society Symposia Proceedings, Vol. 395 (Materials Research Society, Pittsburgh, Pennsylvania, 1996), p. 723. © 36" Hydrogen diffusion and complex formation in GaN ," , J. Neugebauer, W. Götz, and C. G. Van de Walle, Proceedings of the 6th International Conference on SiC and Related Materials, Kyoto, Japan, Sept. 18-21, 1995, edited by S. Nakashima, H. Matsunami, S. Yoshida, and H. Harima, Inst. Phys. Conf. Ser. No 142 (IOP Publishing, Bristol, 1996), p. 1035. © 35" New model for stretched exponential relaxation ," , C. G. Van de Walle, Amorphous Silicon Technology, edited by M. Hack, R. Schropp, E. A. Schiff, A. Matsuda, and S.Wagner, Materials Research Society Symposia Proceedings, Vol. 420 (Materials ResearchSociety, Pittsburgh, Pennsylvania, 1996), p. 533. © 34" Role of hydrogen and hydrogen complexes in doping of GaN ," , J. Neugebauer and C. G. Van de Walle, III-Nitride, SiC, and Diamond Materials for Electronic Devices, edited by D. K. Gaskill, C. Brandt, and R. J. Nemanich, Materials Research Society Symposia Proceedings, Vol. 423 (Materials Research Society, Pittsburgh, Pennsylvania, 1996), p. 619. © 33" Role of defects and impurities in doping of GaN ," , J. Neugebauer and C. G. Van de Walle, Proceedings of the 23rd International Conference on the Physics of Semiconductors, Berlin, 1996, edited by M. Scheffler and R. Zimmermann (World Scientific Publishing Co Pte Ltd., Singapore, 1996), p. 2849. © 32" Hydrogen Interactions with Crystalline, Amorphous, Polycrystalline, and Porous Silicon ," , C. G. Van de Walle, Proceedings of the CAM-94 Physics Meeting (Joint Meeting of the Canadian Association of Physicists, the American Physical Society, and the Mexican Physical Society), edited by A. Zepeda, AIP Conference Proceedings Series, Vol. 342 (AIP Press, Woodbury, New York, 1995), p. 15. © 31" Atomic hydrogen in GaN ," , J. Neugebauer and C. G. Van de Walle, Defect and Impurity Engineered Semiconductors and Devices, edited by S. Ashok, I. Akasaki, J. Chevallier,and N. M. Johnson, Materials Research Society Symposia Proceedings, Vol. 378(Materials Research Society, Pittsburgh, Pennsylvania, 1995). p. 503. © 30" Phase stability and electronic structure of GaAs1-xNx alloys ," , J. Neugebauer and C. G. Van de Walle, Strained Layer Epitaxy – Materials, Processing, and Device Applications, edited by E. Fitzgerald, K.-Y. Cheng, J. Hoyt, and J. Bean, Materials Research Society Symposia Proceedings, Vol. 379 (Materials Research Society, Pittsburgh, Pennsylvania, 1995). p. 3. © 29" Theory of defects in wide-band-gap semiconductors ," , C. G. Van de Walle and J. Neugebauer, Defect and Impurity Engineered Semiconductors and Devices, edited by S. Ashok, I. Akasaki, J. Chevallier, and N. M. Johnson, Materials Research Society Symposia Proceedings, Vol. 378 (Materials Research Society, Pittsburgh, Pennsylvania, 1995). p. 467. © 28" Silicon-hydrogen bonding and hydrogen diffusion in amorphous silicon ," , C. G. Van de Walle in Amorphous Silicon Technology, edited by E. A. Schiff, M. Hack, A. Madan, and A. Matsuda, MaterialsResearch Society Symposia Proceedings, Vol. 377 (Materials Research Society,Pittsburgh, Pennsylvania, 1995), p. 389.© 27" Theory of point defects and complexes in GaN ," , J. Neugebauer and C. G. Van de Walle, Gallium Nitride and Related Materials, edited by R. D. Dupuis, J. A. Edmond, F. A. Ponce, and S. Nakamura, Materials Research Society Symposia Proceedings, Vol. 395 (Materials Research Society, Pittsburgh, Pennsylvania), p. 645.© 26" Tight-binding initialization for generating high-quality initial wave functions: application to defects and impurities in GaN ," , J. Neugebauer and C. G. Van de Walle, Materials Theory, Simulations, and Parallel Algorithms, edited by E. Kaxiras, J. Joannopoulos, P. Vashishta, and R. K. Kalia, Materials Research Society Symposia Proceedings, Vol. 408 (Materials Research Society, Pittsburgh, Pennsylvania). p. 43. © 25" Defects and doping in GaN ," , J. Neugebauer and C. G. Van de Walle, Proceedings of the 22th International Conference on the Physics of Semiconductors, Vancouver, 1994,edited by D. J. Lockwood (World Scientific Publishing Co Pte Ltd., Singapore), p. 2327. © 24" First-principles investigations of hydrogen and fluorine on silicon surfaces ," , C. G. Van de Walle, Chemical Surface Preparation, Passivation and Cleaning for Semiconductor Growth and Processing, edited by R. J. Nemanich, C. R. Helms, M. Hirose, and G. W. Rubloff, Materials Research Society Symposia Proceedings, Vol. 259 (Materials Research Society, Pittsburgh, Pennsylvania), p. 375. © 23" First-principles investigations of hydrogen, oxygen, and fluorine interactions with silicon ," , C. G. Van de Walle, Proceedings of the Third International Symposium on Process Physics and Modeling in Semiconductor Technology, edited by G. R. Srinivasan, K. Taniguchi, and C. S. Murthy, Volume 93-6 (The Electrochemical Society, Pennington, NJ, 1993), p. 429-442. © 22" Native defects and impurities in cubic and wurtzite GaN ," , J. Neugebauer and C. G. Van de Walle, Diamond, SiC and Nitride Wide Bandgap Semiconductors, edited by C. H. Carter Jr., G. Gildenblat, S. Nakamura, and R. J. Nemanich, Materials Research Society Symposia Proceedings, Vol. 339 (Materials Research Society, Pittsburgh, Pennsylvania, 1994), p. 687. © 21" First-principles investigations of acceptors in ZnSe ," , C. G. Van de Walle and D. B. Laks, Wide Band-Gap Semiconductors, edited by T. D. Moustakas, J. I. Pankove, and Y. Hamakawa, Materials Research Society Symposia Proceedings, Vol. 242 (Materials Research Society, Pittsburgh, Pennsylvania, 1992), p. 349. © doi 0 20" Self-compensation and doping problems in ZnSe ," , D. B. Laks and C. G. Van de Walle, Wide Band-Gap Semiconductors, edited by T. D. Moustakas, J. I. Pankove, and Y. Hamakawa, Materials Research Society Symposia Proceedings, Vol. 242 (Materials Research Society, Pittsburgh, Pennsylvania, 1992), p. 311. © 19" Native defect compensation in wide-band-gap semiconductors ," , D. B. Laks, C. G. Van de Walle, G. F. Neumark, and S. T. Pantelides, Proceedings of the 16th International Conference on Defects in Semiconductors, Lehigh University, Pennsylvania, 1991, edited by G. Davies, G. G. DeLeo, and M. Stavola, Mat. Sci. Forum 83-87 , 1225 (Trans Tech, Zurich, 1991). © 18" Electronic structure and hyperfine parameters for hydrogen and muonium in silicon ," , C. G. Van de Walle, Impurities, Defects, and Diffusion in Semiconductors, edited by J. Bernholc, E. E. Haller, and D. J. Wolford, Materials Research Society Symposia Proceedings, Vol. 163 (Materials Research Society, Pittsburgh, Pennsylvania, 1990), p. 419. © 17" Atomic structure of CaSi2/Si interfaces ," , C. G. Van de Walle, Atomic Scale Structure of Interfaces, edited by R. D. Bringans, R. M. Feenstra, and J. M. Gibson, Materials Research Society Symposia Proceedings, Vol. 159 (Materials Research Society, Pittsburgh,Pennsylvania, 1990) p. 115. © 16" Structure and hyperfine parameters of point defects in semiconductors ," , C. G. Van de Walle and D. B. Laks, Proceedings of the 20th International Conference on the Physics of Semiconductors, Thessaloniki, 1990, edited by E. Anastassakis and J. D. Joannopoulos (World Scientific Publishing Co Pte Ltd., Singapore), p. 722. © 15" Li and native defects in ZnSe investigated by first-principles total-energy calculations ," , D. B. Laks, C. G. Van de Walle, G. F. Neumark, and S. T. Pantelides, Proceedings of the 20th International Conference on the Physics of Semiconductors, Thessaloniki, 1990, edited by E. Anastassakis and J. D. Joannopoulos (World Scientific Publishing Co Pte Ltd., Singapore), p. 654. © 14" First-principles calculations of diffusion constants in silicon ," , P. E. Blöchl, C. G. Van de Walle, and S. T. Pantelides, Proceedings of the Second International Symposium on Process Physics and Modeling in Semiconductor Technology, Montreal, 1990, edited by G. R. Srinivasan, J. D. Plummer, and S. T. Pantelides, (The Electrochemical Society, c., Pennington, NJ), p. 190. © 13" Fluorine-silicon reactions and the etching of crystalline silicon ," , C. G. Van de Walle, F. R. McFeely, and S. T. Pantelides, Proceedings of the 15th International Conference on Defects in Semiconductors, Budapest, 1988, edited by G. Ferenczi, Mat. Sci. Forum 38-41 , 335 (Trans Tech, Aedermannsdorf, 1989). © 12" Hydrogen diffusion and passivation of shallow impurities in crystalline silicon ," , P. J. H. Denteneer, C. G. Van de Walle, Y. Bar-Yam, and S. T. Pantelides, Proceedings of the 15th International Conference on Defects in Semiconductors, Budapest, 1988, edited by G. Ferenczi, Mat. Sci. Forum 38-41 , 979 (Trans Tech, Aedermannsdorf, 1989). © 11" Fluorine-silicon reactions and the etching of crystalline silicon ," , C. G. Van de Walle, F. R. McFeely, and S. T. Pantelides, Atomic Scale Calculations in Materials Science, edited by J. Tersoff, D. Vanderbilt, and V. Vitek, Materials Research Society Symposia Proceedings, Vol. 141 (Materials Research Society, Pittsburgh, Pennsylvania, 1989), p. 425. © 10" Enhanced and retarded diffusion of shallow impurities in silicon ," , C. S. Nichols, C. G. Van de Walle, and S. T. Pantelides, Atomic Scale Calculations in Materials Science, edited by J. Tersoff, D. Vanderbilt, and V. Vitek, Materials Research Society Symposia Proceedings, Vol. 141 (Materials Research Society, Pittsburgh, Pennsylvania, 1989), p. 243 © 9" Band offsets at strained-layer interfaces ," , C. G. Van de Walle, Epitaxy of Semiconductor Layered Structures, edited by R. T. Tung, L. R. Dawson, and R. L. Gunshor, MaterialsResearch Society Symposia Proceedings, Vol. 102 (Materials Research Society,Pittsburgh, Pennsylvania, 1988), p. 565. © 8" Theory of hydrogen reactions in silicon ," , C. G. Van de Walle, Y. Bar-Yam, and S. T. Pantelides, Defects in Electronic Materials, edited by M. Stavola, S. J. Pearton, and G. Davies, Materials Research Society Symposia Proceedings, Vol. 104 (Materials Research Society, Pittsburgh, Pennsylvania, 1988), p. 253. © 7" Hydrogen diffusion and passivation of shallow impurities in crystalline silicon ," , C. G. Van de Walle, P. J. H. Denteneer, Y. Bar-Yam, and S. T. Pantelides, Proceedings of the Third International Conference on Shallow Impurities in Semiconductors, Linköping, 1988, edited by B. Monemar, IOP Conf. Ser. no. 95 (IOP London, 1989), p. 405. © 6" Diffusion of shallow impurities in silicon ," , C. S. Nichols, C. G. Van de Walle, and S. T. Pantelides, Proceedings of the Third International Conference on Shallow Impurities in Semiconductors, Linköping, 1988, edited by B. Monemar, IOP Conf. Ser. no. 95 (IOP London, 1989), p. 493. © 5" Fluorine-silicon reactions and the etching of crystalline silicon ," , C. G. Van de Walle, F. R. McFeely, and S. T. Pantelides, Proceedings of the 19th International Conference on the Physics of Semiconductors, Warsaw, 1988, edited by W. Zawadzki (Inst. of Physics, Polish Academy of Sciences, Warsaw, 1988), p. 789. © 4" Diffusion and complex formation in boron-doped silicon ," , P. J. H. Denteneer, C. S. Nichols, C. G. Van de Walle, and S. T. Pantelides, Proceedings of the 19th International Conference on the Physics of Semiconductors, Warsaw, 1988, edited by W. Zawadzki (Inst. of Physics, Polish Academy of Sciences, Warsaw, 1988), p. 999. © 3" A simple model for intrinsic band offsets at semiconductor heterojunctions ," , C. G. Van de Walle and R. M. Martin, Proceedings of the 18th International Conference on the Physics of Semiconductors, edited by O. Engström (World Scientific Publishing Co Pte Ltd., Singapore 1987), p. 159. © 2" Energy-dependence of the single-particle self-energy correction for various semiconductors ," , W. B. Jackson, C. G. Van de Walle, J. W. Allen, and J. E. Northrup, Proceedings of the 18th International Conference on the Physics of Semiconductors, edited by O. Engström (World Scientific Publishing Co Pte Ltd., Singapore 1987), p. 1111. © 1" Theoretical study of semiconductor interfaces ," , C. G. Van de Walle and R. M. Martin, Computer-Based Microscopic Description of the Structure and Properties of Materials, edited by J. Broughton, W. Krakow and S. T. Pantelides, Materials Research Society Symposia Proceedings, Vol. 63 (Materials Research Society, Pittsburgh, Pennsylvania, 1986), p. 21. © | ||||||||||||||||||