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

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Published in Journal of Magnetism and Magnetic Materials. 2003, vol. 267, p. 261-266
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 structureMagnetismDoped insulators
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Structures
Research group Groupe Giamarchi
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JARLBORG, Thomas N. Electronic structure and magnetism in XxW1−xO3 (X=Nb,V,Re) from supercell calculations. In: Journal of Magnetism and Magnetic Materials, 2003, vol. 267, p. 261-266. https://archive-ouverte.unige.ch/unige:35771

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Deposited on : 2014-04-16

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