Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/111338
Title: Singlet-Triplet Pseudo-Jahn-Teller Centers in Copper Oxides
Authors: Moskvin, A. S.
Panov, Y. D.
Issue Date: 1999
Publisher: Elsevier Science Ltd
Elsevier BV
Citation: Moskvin A. S. Singlet-Triplet Pseudo-Jahn-Teller Centers in Copper Oxides / A. S. Moskvin, Y. D. Panov. — DOI 10.21538/0134-4889-2020-26-3-32-43 // Journal of Physics and Chemistry of Solids. — 1999. — Vol. 60. — Iss. 5. — P. 607-623.
Abstract: One of the most exciting features of the hole centers CuO45- in doped cuprates is an unusually complicated ground state which is the result of the electronic quasi-degeneracy. An additional hole, doped to the basic CuO46- cluster with the b1g hole can occupy both the same hybrid Cu3d-O2p orbital state resulting in a Zhang-Rice singlet 1A1g and the purely oxygen eu molecular orbital resulting in a singlet or triplet 1,3Eu term with the close energies. We present detailed analysis of the (pseudo)-Jahn-Teller (PJT) effect driven by the near-degeneracy within the (1A1g, 1,3Eu)-manifold.
Keywords: DOPING (ADDITIVES)
GROUND STATE
MOLECULAR DYNAMICS
ANHARMONICITY
ELECTRONIC QUASI-DEGENERACY
PSEUDO JAHN-TELLER (PJT) CENTERS
OXIDE SUPERCONDUCTORS
URI: http://hdl.handle.net/10995/111338
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 0032665483
ISSN: 0022-3697
DOI: 10.21538/0134-4889-2020-26-3-32-43
metadata.dc.description.sponsorship: We thank Drs. M.V. Eremin, B.I. Kochelaev, Yu.V.Yablokov, S.Yu. Shashkin, A.E. Nikiforov, A.S. Ovchinnikov, V.Ya. Mitrofanov and A.Ya. Fishman for stimulating discussions.
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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