Model Hamiltonian parameters for half-metallic ferromagnets NiMnSb and CrO2

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dc.creatorYamasaki, A.
dc.creatorChioncel, L.
dc.creatorLichtenstein, A. I.
dc.creatorAndersen, O. K.
dc.date2006-03-10
dc.date2006-07-23
dc.date.accessioned2026-07-07T07:02:20Z
dc.date.available2026-07-07T07:02:20Z
dc.descriptionUsing the recently developed Nth-order muffin-tin-orbital (NMTO) based downfolding technique we revisit the electronic properties of half-metallic ferromagnets, the semi-Heusler NiMnSb and rutile CrO2. The NMTO Wannier orbitals for the Mn-d and Cr-t2g manifolds are constructed and the mechanism of chemical bonding is discussed. The effective hopping Hamiltonian parameters are calculated using a NMTO downfolded basis set. We propose model Hamiltonian parameters with possibly minimal basis sets for both half-metallic ferromagnetic alloys.
dc.description12 pages, 10 figures, 2 tables
dc.identifierhttps://arxiv.org/abs/cond-mat/0603305
dc.identifierhttp://arxiv.org/abs/cond-mat/0603305
dc.identifierPhys. Rev. B 74, 024419 (2006)
dc.identifierdoi:10.1103/PhysRevB.74.024419
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/108569
dc.subjectStrongly Correlated Electrons
dc.subjectMaterials Science
dc.titleModel Hamiltonian parameters for half-metallic ferromagnets NiMnSb and CrO2
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