A theoretical analysis on highly spin-polarized transport of iron nitride Fe_4N

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dc.creatorKokado, Satoshi
dc.creatorFujima, Nobuhisa
dc.creatorHarigaya, Kikuo
dc.creatorShimizu, Hisashi
dc.creatorSakuma, Akimasa
dc.date2006-04-28
dc.date.accessioned2026-07-07T12:27:48Z
dc.date.available2026-07-07T12:27:48Z
dc.descriptionIn order to propose a ferromagnet exhibiting highly spin-polarized transport, we theoretically analyzed the spin polarization ratio of the conductivity of the bulk Fe$_4$N with a perovskite type structure, in which N is located at the body center position of fcc-Fe. The spin polarization ratio is defined by $P = (σ_\uparrow - σ_\downarrow) / (σ_\uparrow + σ_\downarrow )$, with $σ_{\uparrow(\downarrow)}$ being the conductivity at zero temperature of the up spin (down spin). The conductivity is obtained by using the Kubo formula and the Slater-Koster tight binding model, where parameters are determined from the least-square fitting of the dispersion curves by the tight binding model to those by the first principles calculation. In the vicinity of the Fermi energy, $|P|$ takes almost 1.0, indicating perfectly spin-polarized transport. In addition, by comparing Fe$_4$N to fcc-Fe (Fe$_4$N$_0$) in the ferromagnetic state with the equilibrium lattice constant of Fe$_4$N, it is shown that the non-magnetic atom N plays an important role in increasing $|P|$.
dc.description4 pages, 2 figures, accepted for publication in Phys. Rev. B
dc.identifierhttps://arxiv.org/abs/cond-mat/0605001
dc.identifierhttp://arxiv.org/abs/cond-mat/0605001
dc.identifierPhys. Rev. B 73, 172410 (2006)
dc.identifierdoi:10.1103/PhysRevB.73.172410
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/215329
dc.subjectMaterials Science
dc.subjectMesoscale and Nanoscale Physics
dc.subjectQuantum Physics
dc.titleA theoretical analysis on highly spin-polarized transport of iron nitride Fe_4N
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