Phys. Rev. B 80, 024416 (2009) [6 pages]K2Cr8O16 predicted as a half-metallic ferromagnet: Scenario for a metal-insulator transitionSee Also: Erratum Received 4 June 2009; revised 25 June 2009; published 16 July 2009 Based on the first-principles electronic structure calculations, we predict that a chromium oxide K2Cr8O16 of hollandite type should be a half-metallic ferromagnet where the Fermi level crosses only the majority-spin band, whereas the minority-spin band has a semiconducting gap. We show that the double-exchange mechanism is responsible for the observed saturated ferromagnetism. We discuss possible scenarios of the metal-insulator transition observed at low temperature and we argue that the formation of the incommensurate long-wavelength density wave of spinless fermions caused by the Fermi-surface nesting may be the origin of the opening of the charge gap. © 2009 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.80.024416
DOI:
10.1103/PhysRevB.80.024416
PACS:
71.30.+h, 72.80.Ga, 75.10.Lp, 71.20.−b
See AlsoErratum: M. Sakamaki, T. Konishi, and Y. Ohta, Erratum: K2Cr8O16 predicted as a half-metallic ferromagnet: Scenario for a metal-insulator transition [Phys. Rev. B 80, 024416 (2009)], Phys. Rev. B 82, 099903 (2010). |
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