| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1562489 | Computational Materials Science | 2011 | 4 Pages |
Abstract
⺠The Mn2ZnCa alloy in CuHg2Ti-type structure is predicted to being half-metallic antiferromagnetic nature. ⺠The equilibrium structure is determinied by minimizing total energy calculations. ⺠The density of states analysis presents the nature of antiferromagnetic originating from d-d orbital hybridization. ⺠The lattice constant dependence of magnetic moment exhibit that the antiferromagnetic nature is kept within the wide ranges of lattice constant. ⺠The changes of atom coordination surroundings lead to the antiferromagnetic nature lost.
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Wen-Ze Wang, Xiao-Ping Wei,