Abstract
A
modified version of the exchange potential proposed by Becke and
Johnson [J. Chem. Phys. 124, 221101 (2006)10.1063/1.2213970] is tested
on solids for the calculation of band gaps. The agreement with
experiment is very good for all types of solids we considered (e.g.,
wide band gap insulators, sp semiconductors, and strongly correlated 3d
transition-metal oxides) and is of the same order as the agreement
obtained with the hybrid functionals or the GW methods. This semilocal
exchange potential, which recovers the local-density approximation (LDA)
for a constant electron density, mimics very well the behavior of
orbital-dependent potentials and leads to calculations which are barely
more expensive than LDA calculations. Therefore, it can be applied to
very large systems in an efficient way.
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My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences. 
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