Journal of Siberian Federal University. Mathematics & Physics / First-principles Calculations of the Exchange Coupling Constants for an Iron Film

Full text (.pdf)
Issue
Journal of Siberian Federal University. Mathematics & Physics. 2023 16 (6)
Authors
Makeev, Michael Yu.; Mamonova, Marina V.
Contact information
Makeev, Michael Yu. : Dostoevsky Omsk State University Omsk, Russian Federation; ; Mamonova, Marina V. : Dostoevsky Omsk State University Omsk, Russian Federation; OCRID: 0000-0001-7466-086X
Keywords
ultrathin films; ab-initio calculations; exchange interaction parameters; magnetoresistance
Abstract

First-principles calculations of the energy and magnetic characteristics of Fe films on Cr substrates are carried out with the use of the VASP software package in PAW PBE approximation. The exchange interaction parameters for Fe/Cr(001) and Fe/Cr(001)/Fe structures as a function of ferromagnetic films thickness were calculated within a classical Heisenberg model. The results of our calculation of exchange coupling constants can be used to calculate the temperature dependence of magnetoresistance and compare them with experimental data

Pages
773–779
EDN
IQRZEA
Paper at repository of SibFU
https://elib.sfu-kras.ru/handle/2311/151861