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• W2026990203 abstract "The electronic structure of yttrium oxysulfide $({mathrm{Y}}_{2}{mathrm{O}}_{2}mathrm{S})$ is investigated using first-principles pseudopotential calculations by means of the local-density approximation within density-functional theory. It is found that (i) the material is an indirect band-gap semiconductor, (ii) the calculated bulk modulus (142 GPa) is between the one of yttrium oxide and that of yttrium sulfide, (iii) the top of the valence bands shows anisotropic behavior, and (iv) substantial covalent bonds between Y and O and less covalent bonds between Y and S coexist in the material." @default.
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• W2026990203 date "1998-04-15" @default.
• W2026990203 modified "2023-09-25" @default.
• W2026990203 title "First-principles band-structure calculation of yttrium oxysulfide" @default.
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• W2026990203 doi "https://doi.org/10.1103/physrevb.57.8939" @default.
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