Abstract： We calculate the band structure of BaS using the local density approximation and the GW approximation (GWA), i.e. in combination of the Green function G and the screened Coulomb interaction W. The Ba 4d states are treated as valence states. We find that BaS is a direct band-gap semiconductor. The result shows that the GWA band gap (Eg-GW=3.921eV) agrees excellently with the experimental result (Eg-EXPT=3.88eV or 3.9eV).
(Electronic structure of liquid metals and semiconductors and their Alloys)
引用本文:
LU Tie-Yu;CHEN De-Yan;HUANG Mei-Chun. Quasiparticle Band Structure of BaS[J]. 中国物理快报, 2006, 23(4): 943-945.
LU Tie-Yu, CHEN De-Yan, HUANG Mei-Chun. Quasiparticle Band Structure of BaS. Chin. Phys. Lett., 2006, 23(4): 943-945.
2006, Vol. 23 
