[Wien] Basic question about mbj potential

shamik chakrabarti shamikphy at gmail.com
Fri Oct 25 14:59:13 CEST 2013


Dear wien2k users,

     I have a basic question regarding mbj potential. As GGA+U is an useful
scheme for mott-hubbard type insulator, similarly, whether acquiring mbj
potential is an good approach for any types of insulator?.

specifically, whether it is useful for both mott-hubbard and
charge-transfer type insulator?....also if an insulator/semiconductor
posses both mott-hubbard and charge transfer type band gaps...whether still
mbj is an useful option?

Please, pardon me, as I have not gone through the basics of mbj yet through
any lit. survey.

.
with regards,

-- 
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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