Transition of iron ions from high-spin to low-spin state and pressure-induced insulator-metal transition in hematite Fe2O 3

A. V. Kozhevnikov, A. V. Lukoyanov, V. I. Anisimov, M. A. Korotin

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

For the analysis of the electron structure of hematite under pressure, methods of the generalized transition state and local electron density approximation combined with the dynamical mean-field theory have been used. The transition of iron ions from the high-spin to low-spin state and the insulator-metal transition observed in Fe2O3 at high pressures have been considered. It is shown that in the low-symmetry crystal structure of Fe2O3 experimentally revealed at high pressures a low-spin metallic state is also preferable. The theoretical results obtained agree well with experimental data.

Original languageEnglish
Pages (from-to)1035-1042
Number of pages8
JournalJournal of Experimental and Theoretical Physics
Volume105
Issue number5
DOIs
Publication statusPublished - Nov 2007
Externally publishedYes

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