[Pw_forum] band gap of 'GaAs'
Bramha Pandey
pandey.bramha at gmail.com
Wed Oct 10 10:15:03 CEST 2012
Dear Users and Developers
I am wondered to see the results obtained by the 'nscf' and by applying
hybrid functional in my system(GaAs.)
In ZB 'GaAs', i can not find the minima of conduction and maxima of
valence at 'k' = 0 0 0.
i was found the maxima of valence is obtained at 'k'= 0 0 0 and minima of
conduction is obtained at 'k'= 0 0 0.9.
which is prinited in highest occupied and lowest unoccupied level (ev)
respectively.
Does this shows Indirect band gap of ZB 'GaAs' if so i think it is not
correct (may be wrong)?
Dear All Please through some light on this problem. Any comment is heartily
appreciated .
--
Thanks and Regards
Bramha Prasad Pandey
Ph.D Student Indian School of Mines(ISM)
Dhanbad, INDIA.
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