Surface Electronic Structure of SrTiO_3 Studied by the DV-X_a Cluster Method
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概要
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The electronic structure of SrTi03 (100) surface is investigated by the DV-Xacluster method. It is demonstrated by the first principle, calculations that theintrinsic deep surface states do not exist on this surface. On the other hand thepossibility of the three types of shallow surface states is suggested; A) thosederived from ?xz, yz like d orbitals of surface Ti, B) those coming from 3z"-r'like d orbital admixed with 4p., 4s orbitals of stu'face Ti, and C) those associatedwith the surface 0 2p orbitals. The energy and properties of the localized electronicstates induced by surface and bulk oxygen vacancies are calculated and comparedwith recent UPS and ELS experiments.
- 社団法人日本物理学会の論文
- 1980-01-15
著者
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Adachi Hirohiko
Faculty Of Engineering Osaka University
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Tsukada Masaru
Institute For Molecular Science
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SATOKO Chikatoshi
Institute for Molecular Science
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Tsukada Masaru
Institute For Molecular Sciencce
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