Physics – Condensed Matter – Materials Science
Scientific paper
2006-04-28
Phys. Rev. B 73, 172410 (2006)
Physics
Condensed Matter
Materials Science
4 pages, 2 figures, accepted for publication in Phys. Rev. B
Scientific paper
10.1103/PhysRevB.73.172410
In 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 $P = (\sigma_\uparrow - \sigma_\downarrow) / (\sigma_\uparrow + \sigma_\downarrow )$, with $\sigma_{\uparrow(\downarrow)}$ 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 $|P|$.
Fujima Nobuhisa
Harigaya Kikuo
Kokado Satoshi
Sakuma Akimasa
Shimizu Hisashi
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