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ram seshadri: 2019, Materials 218/Chemistry 277

Time and Place: T R 4:00 pm to 5:15 pm, Phelps 1417

Office hours: After class or by appointment.

Resources:

Sam Techer (steicher -at- mrl -dot- ucsb -edu-) is the reader for the course. Please email him to set up appointments if needed.

Course Outline

Suggested reference for the earlier parts of the class: Basics of Crystallography and Diffraction (4th Edn.), C. Hammond, Oxford IUCr (any edition).

International Tables for Crystallography Volume A: Space-group symmetry

Printable (PDF) periodic table from NIST with electronic configurations. Please keep a printout with you.

Plane group sketcher (requires Java): "escher"

Gorgeous wikipedia page on Wallpaper (2D) groups.

Interactive periodic table with effective ionic Shannon-Prewitt) radii, hosted locally.

The VESTA Crystal Structure drawing package (and more): Download and install from here. This program works on all platforms. It is required for assignments.

Database of some mineral crystal structures. The cif files that can be downloaded are directly read by VESTA.

A demo version of the principal database of Inorganic Crystal Structures is available at FIZ Inorganic Crystal Structure Database

CRC Handbook of Physics and Chemistry online (useful physical and chemical data including solid state properties). CRC Online

PDF file of bond valence parameters including the exponential bond valence relationship, and the source cif file: CIF from CCP14

Oxide Crystal Structures

Class schedule:

Date topic, files etc
T 1/8 Classification, glasses, quasicrystals, etc. | Handout
Papers (DOI): Colloids: Lekkerkerker, CRN: Zachariasen, RCP: Duwez, Quasicrystals: Mackay + Schecthman + Jannsen + Tsai
R 1/10 Symmetry and crystallography | Handout 2 | Handout 3 | Faujasite: faujasite.vesta + faujasite.png | IUCr-Symmetry | 2D Plane Groups
Please print and bring to class: Space Groups 1 + Space Groups 2. Here are more resources on plane groups: 2D-Plane Groups
T 1/15 More crystallography | Structures 1 | Stackings: PDF
R 1/17 Structures (contd.) | Assignment 1 (due in a week)
Coding Assignment (due 1/31) || You need: lattice.dat | random.dat | Penrose.dat
T 1/22 Finish Structures 1 and Structures 2
R 1/24 Finish Structures 2 and Structures 3 + Assignment 2 (due in a week) | NbO.cif | CuO.cif |
T 1/29 Finish Structures 2 and Cohesion 1
R 1/31 Cohesion 1 (continued) | Assignment 3 (due in a week)
T 2/5 Cohesion 2 | Leo's guide to bands and k
R 2/7 Cohesion 3 | Assignment 4 (due in a week)
T 2/12 Cohesion 3 + Crystal Fields
Paper by Hoffmann on bonds and bands
Electronic structures of d2 TiO and MoS2
R 2/14 Finish crystal fields and start Magnetism
T 2/19 Midterm
R 2/21 An introduction to the Materials Project (by Josh Bocarsly)
T 2/26 No class
R 2/28 Finish magnetism.
R 3/5 Finish magnetism and Polar materials.
R 3/7 Superconductivity and colossal magnetoresistance.
R 3/12 No class
Final (due March 19th)