[Pw_forum] band structure

[程迎春]

  What happens if you consider the crystal as SC, rather than FCC?
>

The gap is direct when the crystal is considered as SC. The bottom of
conduction band and the top of valence band are both at Gamma.
The first Brillouin zone of the FCC is larger than that of the SC. The
reduction of the brillouin zone of the SC crystal may induce the K
point near X in FCC  superpose with Gamma in SC, so the gap of SC is  direct
.
Am I right?


-- 
Y. C. Cheng
Department of Phyics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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