Chin. Phys. Lett.  2006, Vol. 23 Issue (4): 943-945    DOI:
Original Articles |
Quasiparticle Band Structure of BaS
LU Tie-Yu;CHEN De-Yan;HUANG Mei-Chun
Department of Physics, Xiamen University, Xiamen 361005
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LU Tie-Yu, CHEN De-Yan, HUANG Mei-Chun 2006 Chin. Phys. Lett. 23 943-945
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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).
Keywords: 71.20.Nr      71.22.+i     
Published: 01 April 2006
PACS:  71.20.Nr (Semiconductor compounds)  
  71.22.+i (Electronic structure of liquid metals and semiconductors and their Alloys)  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y2006/V23/I4/0943
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