Formation of localized hole states in complex oxides

Details Formation of localized hole states in complex oxides Formation of localized hole states in complex oxides

1997-02-26

arxiv.org/abs/cond-mat/9702223v1

Physics

Condensed Matter

Materials Science

6 pages, REVTEX, 3 eps figures

Scientific paper

10.1088/0953-8984/9/30/005

Defect electrons (holes) play an important role in most technologically important complex oxides; many of which possess perovskite-related structures. In this contribution we present the first detailed characterization of localized hole states in such materials. Our investigations employ advanced embedded-cluster calculations which consistently include electron correlations and defect-induced lattice relaxations. This is necessary in order to account for the variety of possible hole-state manifestations.

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