Тип публикации: статья из журнала

Год издания: 2023

Идентификатор DOI: 10.3390/magnetochemistry9060147

Аннотация: <jats:p>The use of spintronic devices with a tunable magnetic order on small scales is highly important for novel applications. The MAX phases containing transition metals and/or magnetic ion-substituted lattices attract a lot of attention. In this study, the magnetic and electronic properties of (Cr4-xFex)0.5AC (A = Ge, Si, Al) coПоказать полностьюmpounds were predicted and investigated within the density functional theory. It was established that single-substituted (Cr3Fe1)0.5AC (A = Ge, Si, Al) lattices are favorable in terms of energy. An analysis of the magnetic states of the MAX phases demonstrated that their spin order changes upon substitution of iron atoms for chromium ones. It was found that mostly the (Cr4-xFex)0.5GeC and (Cr4-xFex)0.5AlC lattices acquire a ferrimagnetic state in contrast to (Cr4-xFex)0.5SiC for which the ferromagnetic spin order dominates. It was pointed out that the atomic substitution could be an efficient way to tune the magnetic properties of proposed (Cr4-xFex)0.5AC (A = Ge, Si, Al) MAX phases.</jats:p>

Журнал: Magnetochemistry

Выпуск журнала: Т.9, №6

Номера страниц: 147

ISSN журнала: 23127481

• Fedorova Natalja A. (Department of Physical and Inorganic Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia)
• Kovaleva Alena V. (Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia)
• Olshevskaya Julia S. (Department of Chemistry, College of Natural Sciences, Kyungpook National University, 80 Daehak-ro, Buk-gu, Daegu 41566, Republic of Korea)
• Ivanova Daria A. (Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia)
• Kozak Victoria V. (Department of Physical and Inorganic Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia)
• Shubin Alexander A. (Department of Physical and Inorganic Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia)
• Tarasov Anton S. (Department of Physical and Inorganic Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia)
• Varnakov Sergey N. (Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia)
• Ovchinnikov Sergei G. (Department of Physical and Inorganic Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia)
• Moshkina Evgeniya M. (Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia)
• Maximova Olga A. (Department of Physical and Inorganic Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia)
• Avramov Pavel V. (Department of Chemistry, College of Natural Sciences, Kyungpook National University, 80 Daehak-ro, Buk-gu, Daegu 41566, Republic of Korea)
• Tomilin Felix N. (Department of Physical and Inorganic Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia)

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