[Wien] query about unmodified BJ potential

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Thu Apr 23 10:18:56 CEST 2015


Dear Wien2k users

I am doing mBJ calculation for a ternary semiconductor. There are four
options for different parametrization of mBJ:

0: Original.....
1: New parametrization (Koller.........
2:   New parametrization for semiconductors ........
3: Unmodified BJ potential (Backe.........)

I got  reasonable band gap using unmodified BJ potential, option 3, than
other options.
My query is that: Should I put unmodified BJ potential as mBJ potential in
paper or write simply unmodified BJ potential without mentioning mBJ
potential?

regards






*------------------------------------------------Dr. K. C. Bhamu(Dr. D. S.
Kothari Postdoc Fellow)Thin Films & Membrane Science Lab.Department of
PhysicsUniversity of Rajasthan, Jaipur, IndiaMob. No.  +91-9782911977*
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