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Half-metallic ferromagnetism in wurtzite ScM (M=C, Si, Ge, and Sn): Ab initio calculations
- Source :
- Applied Physics Letters. 102:022404
- Publication Year :
- 2013
- Publisher :
- AIP Publishing, 2013.
-
Abstract
- Using the full potential linearized augment plane wave method with the modified Becke and Johnson (mBJ) potential, the half-metallicity and electronic structure for the wurtzite ScM (M = C, Si, Ge, and Sn) compounds are investigated. The ScM series compounds are found to be excellent half-metallic ferromagnets (HMFs) with large half-metallic gaps (0.76–0.33 eV). The magnetic moments are 2.00 μB per cell, and p-d hybridization mechanism plays crucial role in forming the half-metallic ferromagnetism. The ferromagnetic ground states, larger half metallic gaps, the robust half-metallicity with respect to the lattice compression, negative cohesive energy, and heat of formation indicate ScM compounds would be promising HMFs.
Details
- ISSN :
- 10773118 and 00036951
- Volume :
- 102
- Database :
- OpenAIRE
- Journal :
- Applied Physics Letters
- Accession number :
- edsair.doi...........b62dba9189e7b440c13f37c8a7d69228
- Full Text :
- https://doi.org/10.1063/1.4775680