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- W3142326412 abstract "Novel models (2×1) of Si(001)-SiO2 interface structure have been established. The method of the first-principle General Gradient Approximation (GGA) is employed to structurally optimize the established theoretical models under the K-point space of periodic boundary condition. The structures after optimization have been analyzed, and the results show that the interfaces present in disordered state and both Si–O–Si and Si=O structures exist. Meanwhile, the bonding of surface structure is analyzed via the graphics of electron localization function(ELF)." @default.
- W3142326412 created "2021-04-13" @default.
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- W3142326412 date "2006-01-01" @default.
- W3142326412 modified "2023-09-25" @default.
- W3142326412 title "Theoretical Studies on the Si(001)-SiO_2 Interface Structure" @default.
- W3142326412 hasPublicationYear "2006" @default.
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