Ram Seshadri Group at UC Santa Barbara: 2021 Materials 218

ram seshadri: Winter 2021, Materials 218/Chemistry 277

Time and Place: T R 2:00 pm to 3:15 pm, Remote, via Zoom

Office hours: After class (T R 3:30 pm to 4:30 pm) or by appointment.

Resources:

Nelson Moreno (nelsonemoreno -at - ucsb) is the reader for the course. Please email Nelson to set up appointments, if needed.

Course Outline

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

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

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

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

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

Crystallography Open Database

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

Class schedule:

Date	Subject, files etc
T 1/5	Overview or Oxide Structures: PPTX and compact PDF
Th 1/7	Complete the overview with a focus on electrostatic and bond valence + Video (zipped)
T 1/12	First class on symmetry and crystallography: Notes (PDF)
Some resources: 2D Plane Groups + More 2D Plane Groups, including flow diagram + Some notes on rotoinversion and screws
Th 1/14	Complete symmetry and crystallography + Assignment 1
T 1/19	Crystal structures I: PDF
Requisite Space Group Tables: First set + Second set
Th 1/21	Complete structures I and start Crystal Structures II: PDF + Assignment 2
T 1/26	Complete structures II and start Crystal Structures III: PDF
Some resources: Pauling on crystal structures of ionic crystals + CIF file for CuO + CIF file for NbO
Th 1/28	Complete structures II and Crystal Structures III + Assignment 3
Avogadro Constant measurement from NIST: DOI
T 2/2	Non-crystalline structures PDF + Handout + Cohesion 1: PDF CRN: Zachariasen, RCP: Duwez, Quasicrystals: Mackay + Schecthman + Jannsen + Tsai
Review describing the compositional ubiquity of the ReO₃ structure.
Th 2/4	Cohesion 1 (continued) + Assignment 4 Due 2/11 except for the Madelung coding problem
T 2/9	Cohesion 2: PDF
Th 2/11	Finish Cohesion 2, discuss free electrons, and Cohesion 3: PDF + Free electron theory (from Leo Lamontagne): PDF + Assignment 5 due 2/18
T 2/16	Finish Cohesion 3
Th 2/18	Discuss d orbitals and crystal fields + TiO and MoS₂: PDF + Assignment 6 due 2/25
T 2/23	Complete d orbitals, Jahn-Teller effects, and start magnetism: PDF
Th 2/23	Continue magnetism + Assignment 7 due 3/4, requires PdO.cif
T 3/2	Continue magnetism and spin-polarization
Th 3/4	Polar materials: PDF
Sun 3/7	Take-Home Final Exam (PDF)
Tue 3/9	Superconductivity: PPTX

For material from previous quarters (Ram's cummulative teaching at UCSB) please look at: