Half-metallic ferromagnetism of the full-Heusler compound Co2MnP: A first-principles study
作者： Zhongyu Yao , Shaohua Gong , Jun Fu , Yue-Sheng Zhang , Kai-Lun Yao
DOI: 10.1016/J.SSC.2010.09.034
关键词: Formula unit 、 Heusler compound 、 Plane wave 、 Magnetic moment 、 Lattice constant 、 Density functional theory 、 Chemistry 、 Electronic band structure 、 Condensed matter physics 、 Ferromagnetism
摘要: Abstract The electronic and magnetic properties of the full-Heusler compound Co2MnP were studied using full-potential augmented plane wave plus local orbitals method within density functional theory. Spin-polarized calculations predicted that is a half-metallic ferromagnet with moment 6.00 μ B per formula unit spin-flip gap 0.60 eV at its equilibrium lattice constant. ferromagnetism can be retained even when constant changed by 1.2%.
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