MODELING THE DEPENDENCE OF THE NÉEL TEMPERATURE OF Cr2CFBr MXene ON STRAIN

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The effect of lattice strain on the exchange interaction constants of Cr2CFBr MXene was studied using first-principles calculations. Knowledge of the exchange constants made it possible to simulate the dependence of the Néel temperature TN on the lattice strain ε of the MXene using the mean-field method. It was found that with increasing tensile strain, TN 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 TN. It is shown that in the Cr2CFBr 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.

Sobre autores

Pavel Mushtuk

Department of Theoretical Physics and Intelligent Technologies, Institute of High Technologies and Advanced Materials, Far Eastern Federal University

Email: mushtuk_ps@dvfu.ru
Rússia, Vladivostok, Primorsky Krai, 690922 Russia

Leonid Brykin

Department of Theoretical Physics and Intelligent Technologies, Institute of High Technologies and Advanced Materials, Far Eastern Federal University

Email: brykin.lo@dvfu.ru
Rússia, Vladivostok, Primorsky Krai, 690922 Russia

Ilia Iliushin

Department of Theoretical Physics and Intelligent Technologies, Institute of High Technologies and Advanced Materials, Far Eastern Federal University

Autor responsável pela correspondência
Email: iliushin.ig@dvfu.ru
ORCID ID: 0000-0002-7873-7120
Código SPIN: 6900-6895
Scopus Author ID: 58266117400
Researcher ID: T-5551-2018

Associate Professor, Department of Theoretical Physics and Intelligent Technologies, Institute of High Technologies and Advanced Materials

Rússia, Vladivostok, Primorsky Krai, 690922 Russia

L. Afremov

Department of Theoretical Physics and Intelligent Technologies, Institute of High Technologies and Advanced Materials, Far Eastern Federal University

Email: afremov.ll@dvfu.ru
Rússia, Vladivostok, Primorsky Krai, 690922 Russia

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