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RAS PhysicsФизика металлов и металловедение Physics of Metals and Metallography

  • ISSN (Print) 0015-3230
  • ISSN (Online) 3034-6215

MODELING THE DEPENDENCE OF THE NÉEL TEMPERATURE OF CrCFBr MXene ON STRAIN

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PII
S3034621525080045-1
DOI
10.7868/S3034621525080045
Publication type
Article
Status
Published
Authors
P. S. Mushtuk
  • Affiliation: Department of Theoretical Physics and Intelligent Technologies, Far Eastern Federal University
L. O. Brykin
  • Affiliation: Department of Theoretical Physics and Intelligent Technologies, Far Eastern Federal University
I. G. Illushin
  • Affiliation: Department of Theoretical Physics and Intelligent Technologies, Far Eastern Federal University
L. L. Afremov
  • Affiliation: Department of Theoretical Physics and Intelligent Technologies, Far Eastern Federal University
Volume/ Edition
Volume 126 / Issue number 8
Pages
873-878
Abstract
The effect of lattice strain on the exchange interaction constants of CrCFBr MXene was studied using first-principles calculations. Knowledge of the exchange constants made it possible to simulate the dependence of the Néel temperature T on the lattice strain ε of the MXene using the mean-field method. It was found that with increasing tensile strain, T changes non-monotonically, reaching a maximum value at ε = 0.1. Compressive strain up to ε = –0.11 monotonically decreases the Néel temperature, but beyond ε < –0.11, it leads to a rapid increase in T. It is shown that in the CrCFBr system, at a strain of ε = –0.11, an “order–order” phase transition occurs, where the Néel-type antiferromagnetic state transforms into a stripe-type antiferromagnetic state.
Keywords
максены обменное взаимодействие деформация решетки метод среднего спина метод функционала плотности
Date of publication
22.02.2026
Year of publication
2026
Number of purchasers
0
Views
46

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