Theory of electronic structures of chemisorption on oxide surfaces |
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| Authors: | Masaru Tsukada Nobuyuki Shima |
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| Institution: | 1. Department of Physics, University of Tokyo, Bunkyo-ku, 113, Tokyo, Japan
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| Abstract: | Surface electronic structures of metal oxides such as MgO, TiO2, SrTiO3, ReO3 and transition-metal monoxides are discussed based on the first-principles DV-Xα cluster and slab methods. Particular attention is paid to the origin and properties of intrinsic and extrinsic surface states. A close correlation between the surface structure and electronic states is confirmed. Some exotic properties of polar oxide surfaces, for example the formation of a two-dimensional metallic band, are predicted. |
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