Variation of Magnetism and Half-metallicity in Ru2VSi with Lattice Expansion

被引：0
|
作者：
Bhat, Idris Hamid [1 ]
Gupta, Dinesh C. [1 ]
机构：
[1] Jiwaji Univ, Sch Studies Phys, Condensed Matter Theory Grp, Gwalior 474011, India
来源：
PROCEEDINGS OF THE 59TH DAE SOLID STATE PHYSICS SYMPOSIUM 2014 (SOLID STATE PHYSICS) | 2015年 / 1665卷
关键词：
Intermetallic compounds; Density functional theory; Other ferromagnetic metals and alloys;
D O I：
10.1063/1.4918153
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Full-potential linearized augmented plane wave method has been employed to investigate the electronic and magnetic properties of Ru2VSi Heusler alloy at optimized lattice parameter and in expanded lattice. Present computations predict that Ru2VSi has a ferromagnetic ground state with an optimized lattice constant 5.952 angstrom. The compound in ambient conditions was found to have metallic character. However, increased value of lattice parameter induces 100% spin-polarization in the material at Fermi energy. Further, the band gap tends to increase and the material behaves as pure half-metallic at an increased value of lattice constant.
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