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- W2049673913 abstract "Electronic properties of both Pb and S vacancy defect in PbS(-100) have been studied using the first principles density functional theory (DFT) calculations with the plane-wave pseudopotentials. The densities of states are computed to investigate the effect of the Pb and S vacancy on the electronic structure, respectively. In the case of S vacancy defect, the Fermi energy shifted to the conduction band making it an n-type PbS (donor). While in the case of Pb vacancy the DOS do change appreciably." @default.
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- W2049673913 date "2007-11-29" @default.
- W2049673913 modified "2023-09-27" @default.
- W2049673913 title "The electronic structure of the PbS(-100) with vacancy defect: first-principles study" @default.
- W2049673913 doi "https://doi.org/10.1117/12.754973" @default.
- W2049673913 hasPublicationYear "2007" @default.
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