Approximation theory - Band structure - Electronic structure - Ferromagnetism - Lattice constants - Magnetic moments - Phase transitions - Yttrium compounds;
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摘要:
Magnetic moment of Y(Co0.75Mn0.25)2 with the cubic Laves-phase structure is obtained as a function of lattice constant, by performing band calculations in a self-consistent linear muffin-tin orbital method within the atomic sphere approximation. Mn atom in this pseudo-binary compound is found to have a ferromagnetic moment 2.64μB atom at the observed lattice constant, while Y and Co atoms are almost non-magnetic.
机构:
Inst Potosino Invest Cientifica & Tecnol, Adv Mat Dept, Tangamanga 78231, San Luis Potosi, MexicoInst Potosino Invest Cientifica & Tecnol, Adv Mat Dept, Tangamanga 78231, San Luis Potosi, Mexico
López-Urías, F
Díaz-Ortiz, A
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Inst Potosino Invest Cientifica & Tecnol, Adv Mat Dept, Tangamanga 78231, San Luis Potosi, MexicoInst Potosino Invest Cientifica & Tecnol, Adv Mat Dept, Tangamanga 78231, San Luis Potosi, Mexico