Affordable Access

Publisher Website

The singlet-triplet pseudo-Jahn–Teller centers in copper oxides

Authors
Journal
Journal of Physics and Chemistry of Solids
0022-3697
Publisher
Elsevier
Publication Date
Volume
60
Issue
5
Identifiers
DOI: 10.1016/s0022-3697(98)00325-4
Keywords
  • A. Oxides
  • A. Superconductors
  • D. Anharmonicity

Abstract

Abstract One of the most exciting features of the hole centers CuO 4 5− 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 CuO 4 6− cluster with the b 1 g hole can occupy both the same hybrid Cu3d–O2p orbital state resulting in a Zhang–Rice singlet 1 A 1 g and the purely oxygen e u molecular orbital resulting in a singlet or triplet 1,3 E u term with the close energies. We present detailed analysis of the (pseudo)-Jahn–Teller (PJT) effect driven by the near−degeneracy within the ( 1 A 1 g , 1,3 E u)-manifold.

There are no comments yet on this publication. Be the first to share your thoughts.