Open AccessCalculation of the exchange integrals for Co1-xNix alloy by Korring-Kohn-Rostoker method
Author(s) -
Sergey N. Budko,
М. В. Мамонова
Publication year - 2019
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1389/1/012144
Subject(s) - antiferromagnetism , ferromagnetism , exchange interaction , alloy , nickel , condensed matter physics , cobalt , lattice (music) , lattice constant , materials science , character (mathematics) , k nearest neighbors algorithm , chemistry , physics , metallurgy , quantum mechanics , mathematics , geometry , acoustics , diffraction , artificial intelligence , computer science
In this work we investigate the cobalt-nickel alloy magnetic properties. Calculations of lattice constants for Co, Ni and Co 1- x Ni x alloy with different concentrations were performed with the VASP framework. Calculations of the exchange integrals were carried out using the SPR-KKR package (spin-polarized relativistic Korring-Kohn-Rostoker method). For pure ferromagnets, the Co exchange interaction is ferromagnetic. For Ni, the exchange interaction of the nearest neighbors also is ferromagnetic, but the exchange interaction of the next nearest neighbors has a very weak antiferromagnetic character. In the Co 1- x Ni x alloy, the exchange interaction of the nearest neighbors J Ni–Co 1 and J Co–Co 1 increases with increasing nickel concentration. The next nearest neighbors exchange interaction at a concentration of Ni x ≥ 0.5 has an antiferromagnetic character.