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Pseudo‐Jahn‐Teller Centers and Local Structure of Doped Cuprates
Author(s) -
Moskvin A. S.,
Panov Yu.D.
Publication year - 1999
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199903)212:1<141::aid-pssb141>3.0.co;2-g
Subject(s) - jahn–teller effect , degeneracy (biology) , singlet state , cuprate , doping , physics , condensed matter physics , ground state , electronic structure , chemistry , atomic physics , quantum mechanics , excited state , ion , bioinformatics , biology
We consider a model where the most exciting features of the hole centers CuO 4 5— in doped cuprates are in their unusually complicated ground state as a result of electronic quasi‐degeneracy accompanied by the (pseudo‐)Jahn‐Teller effect. An additional hole, doped to the basic CuO 4 6— cluster with the b 1g hole can occupy both the same hybrid Cu3d–O2p orbital state resulting in a Zhang‐Rice singlet 1 A 1g and the purely oxygen e u molecular orbital resulting in the singlet or triplet 1, 3 E u term with close energies. We present a detailed analysis of the (pseudo‐)Jahn‐Teller effect and local structure distortions driven by the near‐degeneracy within the ( 1 A 1g , 1, 3 E u ) manifold.