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Effect of Fe Substitution on Ni2MnGe Heusler Alloys: A First Principles Study |
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| Authors: | Xiao-Ping Wei Yan-Dong Chu Xiao-Wei Sun Jian-Bo Deng Yong-Zhong Xing |
| Affiliation: | 1. The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou, 730070, P.R. China 2. Department of Physics, LanZhou University, Lanzhou, 730000, P.R. China 3. Department of Physics, Tianshui Normal University, Tianshui, 741000, P.R. China |
| Abstract: | The effect of Fe substitution on electronic structure and magnetic properties of Ni2MnGe alloy has been investigated by using full-potential local-orbital minimum-basis method, which is used in the VCA form. The theoretical lattice parameters are obtained from the dependence of the total energy on the lattice parameter. A decreasing trend of total magnetic moment with Fe substitution is found for Ni2Mn1?x Fe x Ge for studied concentrations x. The pressure–magnetization behavior is obtained for Ni2Mn1?x Fe x Ge for applied pressure from 0 to 2000 GPa, and the changes of total magnetic moment gradually approach linear with the increase of x concentration. The value of equilibrium bulk modulus of Ni2Mn1?x Fe x Ge (for x=0.0–1.0) obtained from Murnaghan equation of state (EOS) shows that the studied compounds are less compressible than Ni2MnGe. |
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