Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2022

Идентификатор DOI: 10.1134/S0031918X22070195

Ключевые слова: max phases, substitution effect, theory of density functional

Аннотация: Abstract: MAX phases are a family of ternary layered compounds with formal stoichiometry M2AX and have a layered hexagonal structure. Calculations with the B3LYP density functional show that, by varying the ratio between the chromium and iron in the MAX phase (Cr4 – xFex)0.5SiC, it is possible to change the lattice parameters and the magnetic moment on metal atoms. In this phase, a partial substitution of one metal for the other can be considered a technique of intended variation of their magnetic properties. © 2022, Pleiades Publishing, Ltd.

Журнал: Physics of Metals and Metallography

Выпуск журнала: Vol. 123, Is. 7

Номера страниц: 640-644

ISSN журнала: 0031918X

Издатель: Pleiades Publishing

• Tomilin F.N. (Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Shubin A.A. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Kozak V.V. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Ivanova D.A. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Fedorova N.A. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Ol’shevskaya Y.S. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Kovaleva A.V. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Avramov P.V. (Kyungpook National University, Gyeongbuk Province, Daegu, South Korea)
• Ovchinnikov S.G. (Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)

• Scopus