Abstract
Using first-principles calculations based on density functional theory, we predict the half-metallic ferromagnetism of the Ti2CoGe Heusler compound with the CuHg2Ti-type structure. The electronic band structures and density of states of the Ti2CoGe compound show that the spin-up electrons are metallic, but the spin-down bands are semiconducting with a gap of 0.61 eV, and the spin-flip gap is 0.58 eV. The Ti2CoGe Heusler compound is half-metallic ferromagnetic with magnetic moment of 3μ B at the equilibrium lattice constant a = 6.11 Å, which agrees with the Slater–Pauling rule.
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Kervan, S., Kervan, N. Half-Metallic Ferromagnetism in the Ti2CoGe Heusler Compound. J. Electron. Mater. 41, 1978–1981 (2012). https://doi.org/10.1007/s11664-012-1968-y
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DOI: https://doi.org/10.1007/s11664-012-1968-y