Oxygen derived DOS features in the valence band of metals
首发时间:2005-07-07
Abstract:From the perspective of sp-orbital hybrid bonding and its consequence on the behavior of valence electrons, new insight is presented into the nature of oxygen derived features in the valence band and above of metals. It is suggested that the crystal-geometry and the surface-morphology may vary from surface to surface and from material to material, the oxygen-derived features in energy space are substantially the same in nature. The derived features can be consistently specified as oxygen-metal bonding (- 5 ~ -8 eV), nonbond lone-pair of oxygen (- 1 ~ -2 eV), holes of metal ions (~ EF) and antibondng metal-dipole states (> EF), other than the addition of the 2s or 2p states of the isolated oxygen additives.
keywords: oxidation, density of states
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氧致金属价电子转移及态密度演变
摘要:From the perspective of sp-orbital hybrid bonding and its consequence on the behavior of valence electrons, new insight is presented into the nature of oxygen derived features in the valence band and above of metals. It is suggested that the crystal-geometry and the surface-morphology may vary from surface to surface and from material to material, the oxygen-derived features in energy space are substantially the same in nature. The derived features can be consistently specified as oxygen-metal bonding (- 5 ~ -8 eV), nonbond lone-pair of oxygen (- 1 ~ -2 eV), holes of metal ions (~ EF) and antibondng metal-dipole states (> EF), other than the addition of the 2s or 2p states of the isolated oxygen additives.
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No.2390213761120698****
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