Half-metallic Ferromagnetism in Novel Rh{sub 2}-based Full-Heusler Alloys Rh{sub 2}FeZ (Z = Ga and In)
- Women University of Azad Jammu and Kashmir Bagh, Material Modeling and Simulation Lab, Department of Physics (Pakistan)
- Université de Mascara, Département de Physique, Faculté des Sciences Exactes (Algeria)
- Université d’Oran 1 Ahmed Benbella, Laboratoire LPCMME (Algeria)
In this approach, we have employed the ab initio method of full-potential linearized plane waves plus local orbital based on the framework of density functional theory, within the spin generalized gradient approximation plus U (GGA+U), where U is the Hubbard correlation term for exchange-correlation potential. This method is used to predict the equilibrium structural parameters, the electronic structure, and the magnetic properties of Rh{sub 2}FeGa and Rh{sub 2}FeIn full-Heusler alloys. The structural properties result show that both Rh{sub 2}FeGa and Rh{sub 2}FeIn compounds are stable in ferromagnetic states. The spin-polarized electronic structure demonstrate that both full-Heusler compounds are half-metals with half-metallic band gap (E{sub HM}) of 0.326 eV for Rh{sub 2}FeGa alloy and 0.245 eV for Rh{sub 2}FeIn alloy, where the apparition of an indirect gap from Γ to X in minority spin is shown by these Heusler alloys. Furthermore, calculations of total magnetic moment give the value of 5 µ{sub B}, which agrees with Slater-Pauling rule; also, the atomic magnetic moment of both Rh and Fe transition metals have the same sign which depicts the ferromagnetic behavior.
- OSTI ID:
- 22773959
- Journal Information:
- Journal of Superconductivity and Novel Magnetism, Vol. 31, Issue 7; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); ISSN 1557-1939
- Country of Publication:
- United States
- Language:
- English
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