作者: L. Bellaiche , S.-H. Wei , Alex Zunger
DOI: 10.1063/1.119232
关键词: Electronic structure 、 Band gap 、 Nitride 、 Materials science 、 Supercell (crystal) 、 Crystal 、 Crystal structure 、 Epitaxy 、 Condensed matter physics 、 Gallium arsenide
摘要: … ii Using our pseudopotentials we have also calculated the band gap predicted by the virtual crystal approximation VCA. This approximation includes hydrostatic effects, partial chemical …