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In this paper, we investigate the half-metallicity of Heusler alloys Fe2Co1-xCrxSi by first principles calculations and anisotropy magnetoresistance measurements. It is found that, with the increase of Cr content x, the Fermi level of Fe2Co1-xCrxSi moves from the top of valence band to the bottom of conduction band, and a large half-metallic band gap of 0.75 eV is obtained for x=0.75. We then successfully synthesized a series Heusler Fe2Co1-xCrxSi polycrystalline ribbon samples. The results of X-ray diffraction indicate that the Fe2Co1-xCrxSi series of samples are pure phase with a high degree of order and the saturation magnetic moment follows half-metallic Slater-Pauling rule. Except for the two end members, Fe2CoSi and Fe2CrSi, the anisotropic magnetoresistance of Fe2Co1-xCrxSi (x=0.25, 0.5, 0.75) show a negative value suggesting they are stable half-metallic ferromagnets.
We have investigated the electronic and thermoelectric properties of half-Heusler alloys NiTZ (T = Sc, and Ti; Z = P, As, Sn, and Sb) having 18 valence electron. Calculations are performed by means of density functional theory and Boltzmann transport
Single-crystal Heusler atomic-scale superlattices that have been predicted to exhibit perpendicular magnetic anisotropy and half-metallicity have been successfully grown by molecular beam epitaxy. Superlattices consisting of full-Heusler Co$_2$MnAl a
Li-based half-Heusler alloys have attracted much attention due to their potential applications in optoelectronics and because they carry the possibility of exhibiting large magnetic moments for spintronic applications. Due to their similarities to me
Half-Heusler (HH) phases (space group F43m, Clb) are increasingly gaining attention as promising thermoelectric materials in view of their thermal stability, scalability, and environmental benignity as well as efficient power output. Until recently,
The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional theory using hybrid functionals facilitated by the $mathbf{k} cdot mathbf