The stabilization effect of the substituted atoms and themagnetism for intermetallic compounds YFe12-xCrx |
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| Authors: | Ma Huan-Feng Huang Zheng Chen Bo Qiang Wei-Rong and Pan Min |
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| Institution: | Institute of Nuclear Physics and Chemistry, China Academy
of Engineering Physics, Mianyang 621900, China; School of Physical Science and Technology,
Southwest
Jiaotong University, Chengdu 610031, China |
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| Abstract: | Based on density functional theory, using the scheme of the
linearized augmented plane wave and the improved local orbital
(APW+$lo$), this paper analyses and calculates the lattice
parameters, formation energy and magnetism of the rare-earth
permanent magnetic materials YFe$_{12 - x}$Cr$_{x}$ ($x=0\sim 5$).
The stabilization effect and the possible positions of the
substituted atom Cr are analysed. Magnetic moments for the system
and the atoms are obtained. |
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| Keywords: | YFe12-xCrx density
functional theory formation energy magnetic moment |
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