{"title":"（Cr1−xFex）3C2磁性MXene的稳定性及结构和磁性有序研究","authors":"A. S. Shinkorenko, V. S. Zhandun, N. G. Zamkova","doi":"10.1134/S0021364024603841","DOIUrl":null,"url":null,"abstract":"<p>The thermodynamic stability and the magnetic and electronic properties of a new two-dimensional magnetic compound (Cr<sub>1 −</sub> <sub><i>x</i></sub>Fe<sub><i>x</i></sub>)<sub>3</sub>C<sub>2</sub> belonging to the MXen family have been analyzed using ab initio calculations and the cluster approximation. The most stable structure and magnetic configuration of (Cr<sub>1 −</sub> <sub><i>x</i></sub>Fe<sub><i>x</i></sub>)<sub>3</sub>C<sub>2</sub> have been proposed taking into account the functionalization of the surface with fluorine and oxygen. For the first time, a stable and promising ferrimagnetic MXene (Cr<sub>1/3</sub>Fe<sub>2/3</sub>)<sub>3</sub>C<sub>2</sub> with a high magnetic moment per cell has been discovered, both in the pure form and with the fluorine-functionalized surface.</p>","PeriodicalId":604,"journal":{"name":"JETP Letters","volume":"121 1","pages":"41 - 46"},"PeriodicalIF":1.3000,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1134/S0021364024603841.pdf","citationCount":"0","resultStr":"{\"title\":\"Study of Stability and Structural and Magnetic Ordering in (Cr1 − xFex)3C2 Magnetic MXene\",\"authors\":\"A. S. Shinkorenko, V. S. Zhandun, N. G. Zamkova\",\"doi\":\"10.1134/S0021364024603841\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The thermodynamic stability and the magnetic and electronic properties of a new two-dimensional magnetic compound (Cr<sub>1 −</sub> <sub><i>x</i></sub>Fe<sub><i>x</i></sub>)<sub>3</sub>C<sub>2</sub> belonging to the MXen family have been analyzed using ab initio calculations and the cluster approximation. The most stable structure and magnetic configuration of (Cr<sub>1 −</sub> <sub><i>x</i></sub>Fe<sub><i>x</i></sub>)<sub>3</sub>C<sub>2</sub> have been proposed taking into account the functionalization of the surface with fluorine and oxygen. For the first time, a stable and promising ferrimagnetic MXene (Cr<sub>1/3</sub>Fe<sub>2/3</sub>)<sub>3</sub>C<sub>2</sub> with a high magnetic moment per cell has been discovered, both in the pure form and with the fluorine-functionalized surface.</p>\",\"PeriodicalId\":604,\"journal\":{\"name\":\"JETP Letters\",\"volume\":\"121 1\",\"pages\":\"41 - 46\"},\"PeriodicalIF\":1.3000,\"publicationDate\":\"2025-02-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1134/S0021364024603841.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"JETP Letters\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0021364024603841\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"JETP Letters","FirstCategoryId":"101","ListUrlMain":"https://link.springer.com/article/10.1134/S0021364024603841","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
Study of Stability and Structural and Magnetic Ordering in (Cr1 − xFex)3C2 Magnetic MXene
The thermodynamic stability and the magnetic and electronic properties of a new two-dimensional magnetic compound (Cr1 −xFex)3C2 belonging to the MXen family have been analyzed using ab initio calculations and the cluster approximation. The most stable structure and magnetic configuration of (Cr1 −xFex)3C2 have been proposed taking into account the functionalization of the surface with fluorine and oxygen. For the first time, a stable and promising ferrimagnetic MXene (Cr1/3Fe2/3)3C2 with a high magnetic moment per cell has been discovered, both in the pure form and with the fluorine-functionalized surface.
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All topics of experimental and theoretical physics including gravitation, field theory, elementary particles and nuclei, plasma, nonlinear phenomena, condensed matter, superconductivity, superfluidity, lasers, and surfaces.
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