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- Title
Theoretical Prediction of Half-Metallic Properties of CrHfCoZ (Z = Ga, In, Tl, Si) Alloys.
- Authors
XIAO-PING WEI; TIE-YI CAO; PEIFENG GAO; XIAO-WEI SUN
- Abstract
Using first-principles calculations, we investigate systematically the stability, electronic and magnetic characteristics for the CrHfCoZ (Z = Ga, In, Tl, Si) alloys. Stability is estimated in views of thermodynamics, mechanical and dynamics points. Electronic calculations show that CrHfCoZ alloys have half-metallic behavior, and their integral magnetic moments obey the Slater–Pauling rule. Further, we discuss the formation of spin-flip gap along with integer magnetic moment according to the density of states. In addition, we plot the Fermi surface to illustrate the electronic behavior around the Fermi level of CrHfCoZ alloys. Finally, the changes of conduction band maximum and valence band minimum dependent on the lattice constants are also discussed. Our research may provide a potential applications in spintronic devices.
- Subjects
GALLIUM alloys; ALLOYS; FORECASTING; VALENCE bands; FERMI surfaces; FERMI level
- Publication
Acta Physica Polonica: A, 2020, Vol 138, Issue 3, p440
- ISSN
0587-4246
- Publication type
Article
- DOI
10.12693/APhysPolA.138.440