The stabilization effect of substituted atoms and magnetism for intermetallic compounds YFe 12− x Cr x
作者： Ma Huan-Feng , Huang Zheng , Chen Bo , Qiang Wei-Rong , Pan Min
DOI: 10.1088/1674-1056/18/5/043
关键词: Condensed matter physics 、 Lattice (order) 、 Atom 、 Intermetallic 、 Plane wave 、 Magnetic moment 、 Magnetism 、 Materials science 、 Density functional theory
摘要: Based on density functional theory, using the scheme of linearized augmented plane wave and improved local orbital (APW+lo), this paper analyses calculates lattice parameters, formation energy magnetism rare-earth permanent magnetic materials YFe12−xCrx (x = 0 ~ 5). The stabilization effect possible positions substituted atom Cr are analysed. Magnetic moments for system atoms obtained.
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