Subject: Toy Tight Binding Programs Available for 2-atom Wurtzite/Diamond Structures

From: "Richard P. Muller" <[email-masked]>
Date: Thu, 16 Dec 1999 11:57:50 -0800

I've written two toy tight binding programs for wurtzite or diamond
structures with two atoms per unit cell. These are available for free,
under the Gnu Public License, to anyone who wants them. I wrote these as
an educational exercise, and hope that others will find them similarly
useful.

The first program is taken from W.A. Harrison's "Electronic Structure
and the Properties of Solids: The Physics of the Chemical Bond." Dover
Publications, Inc., NY, 1989. The second is taken from D.J. Chadi and
M.L. Cohen, "Tight Binding Calculations of the Valence Bands of Diamond
and Zincblende Crystals." Phys. Stat. Sol. (b) 68, 405 (1975) (which is
what Harrison based his code on).

Both programs are written in Python. Both also assume that the LLNL
numerical extension to Python are installed. I hope this isn't too much
of a limitation for people.

These programs can be downloaded from
http://www.wag.caltech.edu/home/rpm/projects/wurtzite/

Please send corrections, new parameters, and any other questions to
[email-masked].

Rick
-- 
Richard P. Muller, Ph.D. 
[email-masked] 
http://www.wag.caltech.edu/home/rpm