Large-Cluster Effects on Core-Level Photoabsorption Spectrum of LaCuO_3
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概要
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In order to itavestiaget tlae infltrence of CLI-CLI interaction on the Cu 2p core-level x-ray ab-sorption spectruraa of LaCtrO3, the L2ll1CZ0S catlctrlations are per['orrtaed ['or (Ctr3Oj(;)" and(CUOl6)" cluster tnodels. The Ctu 2p XAS is calculatted as a function of' the cltarge-trarasf'erenergy (A) betxveen the Ctr 3d and 0 2p states. NVith decreasing A, the spin state of' the grotrndstate claanges frorn raaagnetic to nontt?srgtaetic. Arotrnd the critical ,N, flue naain line of the XASsplits by abotrt 1.5 eV, reprodtrcing tlae experitnental restrlt of' LaCtuO3 well. In strch loxv Acases, half the valence luoles occtrpy the 0 2p states, taaediating the strong Cu-Ctr coupling, andthe photoabsorption at a partictrlar CLI site inevitably affects the electronic states around theneighboring Ctr sites, in contrast to div?rlent Ctr conapotrnds. This inter-site cotrpling is enhanced,xvher'n the tetragonal distortiozu of CUl06 units is snaall. In other oxvrds, the 3d orbital degeneracyis itaajcortant in discussing the Ctr 2p XAS of' LaCtrO3. The Cu 2p photoernissioza spectrurta isalso calculated.
- 社団法人日本物理学会の論文
- 1999-02-15
著者
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KOTANI Akio
Institute for Solid State Physics,University of Tokyo
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小谷 章雄
SPring-8
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小谷 章雄
理研 Spring-8:高エ研
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OKADA Kozo
Department of Physics, Okayama University
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Kotani Akio
Department Of Mechanical Engineering Osaka University
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Okada K
The Graduate School Of Natural Science And Technology Okayama University
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Okada Kozo
Department Of Physics Faculty Of Science Okayama University
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小谷 章雄
理化学研究所播磨研究所
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Okada Kozo
The Graduate School Of Natural Science And Technology Okayama University
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Kotani Akio
Institute For Solid State Physics The University Of Tokyo
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Kotani Akio
Institut De Physique Et Chimiedes Materiaux De Strasbourg Cnrs
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OKADA Kozo
Department of Biological Chemistry, Faculty of Pharmacy, Kinki University
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KOTANI Akio
Department of Physics, Tohoku University : Institute for Solid State Physics, University of Tokyo
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