Theoretical and Experimental Consideration of Valence Band X-ray Photoelectron Spectroscopy Spectra of Cr-Deficient MgCr2-xO4
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概要
- 論文の詳細を見る
Cr vacancies, which have been thought to contribute to $ p$-type conduction, are known to be abundant in MgCr2O4. However, no direct experimental evidence of the formation of Cr vacancies in MgCr2O4 has been reported. In this work, changes in the valence band electronic structure related to Cr vacancy introduction were confirmed by corroborating theoretical calculations and valence band X-ray photoelectron spectroscopy (XPS) measurements. The theoretical spectra closely reproduced the features of experimentally measured spectral changes due to Cr vacancy introduction. This result supports that $ p$-type semiconducting behavior and carrier introduction related to Cr vacancies in MgCr2O4, as well as the electronic mechanism behind the formation and stabilization of Cr vacancies by covalent bonding enhancement for hybridization between the Cr 3d band and O 2p band.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2007-07-15
著者
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Watanabe Shinta
Department Of Chemistry School Of Science And Technology Kwansei Gakuin University
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Ogasawara Kazuyoshi
Department Of Chemistry School Of Science And Technology Kwansei Gakuin University
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MORIWAKE Hiroki
Nanostructures Research Laboratory, Japan Fine Ceramics Center
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Watanabe Shinta
Department of Chemistry, School of Science and Technology, Kwanseigakuin University, Sanda, Hyogo 669-1337, Japan
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Moriwake Hiroki
Nanostructure Research Laboratory, Japan Fine Ceramics Center, Nagoya 456-8587, Japan
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Ogasawara Kazuyoshi
Department of Chemistry, School of Science and Technology, Kwanseigakuin University, Sanda, Hyogo 669-1337, Japan
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