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- Title
Structural, Elastic, Electronic, and Magnetic Properties of the Full-Heusler Compounds TiNi X ( X= Al, Ga, and In).
- Authors
Boudali, Abdelkader; Zemouli, Mostefa; Saadaoui, Fatiha; Khodja, Mohamed
- Abstract
We present a quantum-mechanical first-principle calculation of the structural, elastic, electronic, and magnetic properties of the full-Heusler compounds TiNi X ( X= Al, Ga, and In). The calculation uses the full-potential linearized augmented plane waves plus local orbital method to describe Ti-based Heusler alloys. The results show that these compounds exhibit half metallic characteristics over a wide range of mesh parameters and obey the Slater-Pauling rule, which states that the total magnetic moment per unit cell M = Z − 18 for half-Heusler compounds XYZ and M = Z − 24 for full-Heusler X YZ compounds. For these new alloys TiNi X ( X= Al, Ga, and In), we initially considered the two possible L2 structures AlCuMn and CuHgTi. However, two subsequent structural studies showed that only the CuHgTi-like structure is half metallic. Over a wide range of mesh parameters, the calculations give a total magnetic moment of 3.00 μ . These results suggest that TiNi X ( X= Al, Ga, and In) are promising materials for spintronic applications.
- Subjects
QUANTUM mechanics; HEUSLER alloys; SPINTRONICS; MAGNETIC properties; MAGNETISM
- Publication
Journal of Superconductivity & Novel Magnetism, 2017, Vol 30, Issue 1, p15
- ISSN
1557-1939
- Publication type
Article
- DOI
10.1007/s10948-016-3707-8