PHY 752 Solid State Physics
MWF11-11:50 PM
OPL 107
http://www.wfu.edu/~natalie/s11phy752/
Instructor:
Natalie Holzwarth
Phone:
758-5510
Office:
300 OPL
e-mail:
natalie@wfu.edu
Selected Lecture Notes
Notes on Ewald summations
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[Maple example]
[PDF format]
Comments on CIF file formats
Some advice about using the deac cluster
Some literature papers concerning the electronic structure of graphite and diamond:
Diamond band structure
Graphite band structure
Molecular orbital model of graphite
Tight binding model I
Tight binding model II
Slater & Koster paper on general tight binding methods.
Example band dispersion plot using Maple:
[Maple format]
[PDF format]
Some literature papers concerning the formulation of density functional theory:
Hohenberg and Kohn
Kohn and Sham
Ceperley and Alder
Practical functionals in use in "modern" codes
LDA
GDA
Notes on numerical methods for atomic calcuations
Slater's original APS formulation
Seminal paper on LAPW and related methods
Some notes on using the cluster and running the wien2k code.
Phillips & Kleinman paper providing background for the development of pseudopotentials
Troullier & Martins paper detailing method for constructing norm-conserving pseudopotentials.
Kleinman-Bylander construction
Xavier Gonze's analysis of "ghost" states in pseudopotential calculations
Peter Blöchl's PAW paper
Brief summary of PAW and some general electronic structure results
Some comments on atompaw
Atompaw User's Guide written by Marc Torrent
Some example materials studies from the literature
Makov and Payne paper on the treatment of point defects in supercell calcuations
Lecture notes of crystal-vacuum interfaces
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Last modfied: Friday, 13-May-2011 10:24:44 EDT