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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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| Cite this article: |
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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).
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| Keywords:
71.20.Nr
71.22.+i
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Published: 01 April 2006
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| PACS: |
71.20.Nr
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(Semiconductor compounds)
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71.22.+i
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(Electronic structure of liquid metals and semiconductors and their Alloys)
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