Intersite Effects on Valence Band Photoemission Spectra of Undoped CuO_2 Plane and CuO_3 Chain
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概要
- 論文の詳細を見る
Valence band photoetauission spectra f'or Ctu,.0.. clusters are calctrlated Cal<irag into account tl?eftrll degeneracy of the Ctn 3d and O 2p orbitals as a rnodel for trndoped CLlO2 plarues arad CtrO3chains in ctrprate stnpercondtrctors. To enable these types of very large calculations, a metltodhas been developed which redttces tlae raaarty-body lvasis set by systenuattically reraaoving thosestates xvhich contribtrte taegligibly to the spectra. Tlte zaaain strtrctttre iua the 3d electron reraaovalspectra is fotrnd to laave a highly mixed claaracter of d'L stattes of tlae local CtrO,j trr'nit ar?d cl'states in which a Zhang-Rice siraglet [Phys. Rev. B 37 (1988) 3759] is fortaued 011 uaeigluboriuagCuO,j trnrts. The spectral liuae slaapes are therefore strongly dependent on the local coordinationof tlaese units.
- 社団法人日本物理学会の論文
- 1999-11-15
著者
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Tanaka A
Adsm Hiroshima University
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Tanaka Arata
Department Of Quantum Matter Adsm Hiroshima University
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