First-Principles Study on Half-Metallic Full-Heusler Compound MnZnSi.
- Resource Type
- Article
- Authors
- Lei, Yi; Deng, Hong; Lei, Tao; Yang, Mingkun; Deng, Jianbo
- Source
- Journal of Superconductivity & Novel Magnetism. Feb2013, Vol. 26 Issue 2, p389-395. 7p. 2 Charts, 6 Graphs.
- Subject
- *HEUSLER alloys
*MAGNETIC properties
*ELECTRONIC structure
*LATTICE dynamics
*SPIN-orbit interactions
*MAGNETIC moments
*SPINTRONICS
- Language
- ISSN
- 1557-1939
By first-principle calculation, the electronic structure and magnetic properties of the MnZnSi full-Heusler alloy with CuHgTi-type structure are investigated. Calculations show that MnZnSi compound presents half-metallic ferrimagnetic properties under the equilibrium lattice constant. The influence of spin-orbit interaction for the magnetic moments is investigated. The result shows spin-orbit interaction has little influence on magnetic moment. The bulk modulus of MnZnSi obtained by a fit of the Murnaghan equation of state is 134.3 GPa, which is more compressible than some other Heusler alloys. At the pressure range of 0 to 17.7 GPa, MnZnSi presents half-metallic character. MnZnSi would be a promising material for future spintronic applications. [ABSTRACT FROM AUTHOR]