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- W69028243 abstract "Modern computational physics is developing materials-design oriented calculations from first principles. We present total energy calculations for ZnSe:Li to investigate the stability of Li acceptors within the density-functional theory. The result shows that Li is inadequate as the dopant for p -type ZnSe. Based on this result, we suggest other candidates as dopants. We also propose a model of the materials design system." @default.
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- W69028243 date "1991-01-01" @default.
- W69028243 modified "2023-09-27" @default.
- W69028243 title "ELECTRONIC STRUCTURE CALCULATIONS FOR MATERIALS DESIGN" @default.
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- W69028243 doi "https://doi.org/10.1016/b978-0-444-88864-8.50039-x" @default.
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