{"title":"Magnetic Properties of Metal Dichalcogenide in the Frame of Heisenberg-Like Model: DFT and Monte-Carlo Methods","authors":"A. I. Kartsev, K. V. Obraztsov, P. V. Lega","doi":"10.1134/s1064226923100054","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>We study magnetism in the 2D magnets with a <span>\\(d\\)</span>-metal sub-lattice based on the density functional theory and Monte-Carlo simulations. The phenomena of ligand field and the macroscopic nature of <span>\\(p{\\text{-}}d\\)</span> orbitals hybridization has been discussed widely. For a magnetism in the 2D materials with a honeycomb and hexagonal <span>\\(d\\)</span>-metal sub-latices we derive an effective Hamiltonian for a spin subsystem with and without inclusion next nearest-neighbors interaction and higher-order terms. Based on the proposed models critical temperature <span>\\({{T}_{{\\text{C}}}}\\)</span> for a wide range of compounds estimated.</p>","PeriodicalId":50229,"journal":{"name":"Journal of Communications Technology and Electronics","volume":"19 1","pages":""},"PeriodicalIF":0.4000,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Communications Technology and Electronics","FirstCategoryId":"94","ListUrlMain":"https://doi.org/10.1134/s1064226923100054","RegionNum":4,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
Abstract
We study magnetism in the 2D magnets with a \(d\)-metal sub-lattice based on the density functional theory and Monte-Carlo simulations. The phenomena of ligand field and the macroscopic nature of \(p{\text{-}}d\) orbitals hybridization has been discussed widely. For a magnetism in the 2D materials with a honeycomb and hexagonal \(d\)-metal sub-latices we derive an effective Hamiltonian for a spin subsystem with and without inclusion next nearest-neighbors interaction and higher-order terms. Based on the proposed models critical temperature \({{T}_{{\text{C}}}}\) for a wide range of compounds estimated.
期刊介绍：
Journal of Communications Technology and Electronics is a journal that publishes articles on a broad spectrum of theoretical, fundamental, and applied issues of radio engineering, communication, and electron physics. It publishes original articles from the leading scientific and research centers. The journal covers all essential branches of electromagnetics, wave propagation theory, signal processing, transmission lines, telecommunications, physics of semiconductors, and physical processes in electron devices, as well as applications in biology, medicine, microelectronics, nanoelectronics, electron and ion emission, etc.
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