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Scientific article
English

Electronic structure and magnetism in XxW1−xO3 (X=Nb,V,Re) from supercell calculations

Published inJournal of magnetism and magnetic materials, vol. 267, p. 261-266
Publication date2003
Abstract

Some doped semiconductors have recently been shown to display superconductivity or weak ferromagnetism. Here we investigate the electronic structure and condi- tions for magnetism in a supercells of cubic XW26O81, where X=Nb,V and Re. The undoped material is an insulator, and although the slightly doped material is a metal, it is far from the Stoner criterion of magnetism. The conditions of a localized density-of-states (DOS) which varies rapidly with the energy, resemble those of doped hexaborides. The virtual crystal approximation is used to vary the doping level. A small moment appears if the Fermi energy, EF , coincides with a large derivative of the DOS.

Keywords
  • Band structure
  • Magnetism
  • Doped insulators
Research group
Citation (ISO format)
JARLBORG, Thomas N. Electronic structure and magnetism in X<sub>x</sub>W<sub>1−x</sub>O<sub>3</sub> (X=Nb,V,Re) from supercell calculations. In: Journal of magnetism and magnetic materials, 2003, vol. 267, p. 261–266. doi: 10.1016/S0304-8853(03)00379-2
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Article (Submitted version)
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Identifiers
ISSN of the journal0304-8853
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