[Wien] Band Gap problem
Rezaei Behrooz
b.rezaei at tabrizu.ac.ir
Sat Jul 31 05:54:28 CEST 2004
Dear all wien users
I have calculated band structure of GaN in wz phase under GGA(96)
approximation with band gap Eg=2.2eV,while the pseudopotential and
Experimental data show that it is equals to 3.5eV.Who can help me in
some simple terms that what is the reason of this main difference
between these calculations.Of course,I have calculated band structure of
GaN with other approximations( LSDA,GGA(91) ),that is not affect.
Thank you very much in advance.
best wishes,
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Behrooz Rezaei Email: b.rezaei at tabrizu.ac.ir
Research Institute for Applied Physics and Astronomy
Tabriz University phone: +98-411-3393008
Tabriz, Iran Fax: +98-411-3347050
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