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Calculated Transport and Magnetic Properties of some Perovskite Metallic Oxides AMO3

Published online by Cambridge University Press:  10 February 2011

G. Santi  and
T. Jarlborg
G. Santi
Affiliation:
Département de Physique de la Matière Condensée, Université de Genève, 24, Quai Ernest-Ansermet, CH-1211 Genève 4, Switzerland
T. Jarlborg
Affiliation:
Département de Physique de la Matière Condensée, Université de Genève, 24, Quai Ernest-Ansermet, CH-1211 Genève 4, Switzerland
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Abstract

We study some compounds of the perovskite (or pseudo-cubic perovskite) series AMO3, where M is a transition metal and A is Ca, Sr, or Nd, by LSDA self-consistent electronic structure calculations with the LMTO method. Transport and magnetic properties, as well as Fermi surfaces are calculated. These materials exhibit sharp density of states features in the vicinity of the Fermi level that strongly affect their transport and magnetic properties and make them very sensitive to structural deformation and stoichiometry. Calculated total energies are very close for anti-ferromagnetic and ferromagnetic solutions. This explains qualitatively the magnetoresistive anomalies shown by this family of compounds.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 494: Symposium V – Science & Technology of Magnetic Oxides , 1997 , 175
Copyright
Copyright © Materials Research Society 1998

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