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MA: Fachverband Magnetismus

MA 24: Magnetic Heusler Compounds

MA 24.7: Vortrag

Dienstag, 17. März 2020, 11:00–11:15, HSZ 403

Magnetocrystalline anisotropy in Fe2Ni(Ga,Al): ab initio study — •Vladimir Sokolovskiy¹, Olga Miroshkina¹, Danil Baigutlin¹, Mikhail Zagrebin¹, Vasiliy Buchelnikov¹, and Markus Gruner² — ¹Chelyabinsk State University, Chelyabinsk, Russia — ²University of Duisburg-Essen, Duisburg, Germany

Co(Fe)-Ni-Al(Ga) can be stand out among FSM alloys due to their high Curie temperature, which greatly simplifies the requirements for high-temperature FSM. Significantly, these materials are ductile, cheap, and easily synthesized. In this work we consider stoichiometric FSM Heusler alloys Co2NiAl, Fe2NiAl, and Fe2NiGa. For this compositions, first-principles investigation of the ground state properties was performed in the framework of density functional theory using Perdew, Burke, and Ernzerhof (PBE) approximation, which is the mostly widespread and successful. Using VASP package, we minimized the total energy for several types of structures (regular Heusler structure with Cu2MnAl-type, inverse Heusler one with Hg2TiCu-type, B2 disordered structure with Hg2TiCu-type, and layered disordered structure with Hg2TiCu-type) and determined the energetically favorable structure for compositions under study. For favorable structure, the equilibrium lattice parameter, total magnetic moment, and magnetocrystalline anisotropy were calculated.

This work was supported by RSF 17-72-20022.