1. A First-Principles Study on CrZrMnGa.
- Author
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Feng, Lei, Jiang, Wufeng, Zheng, Shenbai, Hao, Suju, Zhang, Yuzhu, and Dong, Li
- Subjects
- *
CHROMIUM compounds , *AB-initio calculations , *MAGNETIC moments , *FERROMAGNETIC materials , *MAGNETIZATION - Abstract
In this paper, a new quaternary full Heusler compound CrZrMnGa is obtained and systematically studied by first-principles calculations. The calculations show the majority spin is strongly metallic character, while the minority spin has an insulating behavior in its band structure. The compound has a precisely total magnetic moment of 2.00 μ per formula by first-principles calculations. This result complies well with the generalized Slater-Pauling (SP) rule M = Z − 18. All the results show that CrZrMnGa with HgCuTi-type structure is a new half-metal ferromagnet by first-principles calculations. [ABSTRACT FROM AUTHOR]
- Published
- 2015
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