Using Evolutionary Algorithms and Ab Initio Calculations to Study the Crystal Structure of Intercalated Fe1/3TiS2 Compound

IF 0.48 Q4 Physics and Astronomy

Bulletin of the Russian Academy of Sciences: Physics Pub Date : 2024-10-14 DOI:10.1134/S1062873824707633

A. A. Chubarova, M. V. Mamonova

引用次数: 0

Abstract

Ab initio calculations of the crystal structure and magnetic properties of intercalated Fe_0.33TiS₂ compound are made using evolutionary machine learning algorithms. Spin‒orbit interaction is considered, and the band structure and density of states are calculated.

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利用进化算法和 Ab Initio 计算研究夹杂 Fe1/3TiS2 化合物的晶体结构

利用进化机器学习算法对插层 Fe0.33TiS2 化合物的晶体结构和磁性能进行了 Ab initio 计算。计算中考虑了自旋轨道相互作用，并计算了带状结构和态密度。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Bulletin of the Russian Academy of Sciences: Physics Physics and Astronomy-Physics and Astronomy (all)

CiteScore

0.90

自引率

0.00%

发文量

251

期刊介绍： Bulletin of the Russian Academy of Sciences: Physics is an international peer reviewed journal published with the participation of the Russian Academy of Sciences. It presents full-text articles (regular, letters to the editor, reviews) with the most recent results in miscellaneous fields of physics and astronomy: nuclear physics, cosmic rays, condensed matter physics, plasma physics, optics and photonics, nanotechnologies, solar and astrophysics, physical applications in material sciences, life sciences, etc. Bulletin of the Russian Academy of Sciences: Physics focuses on the most relevant multidisciplinary topics in natural sciences, both fundamental and applied. Manuscripts can be submitted in Russian and English languages and are subject to peer review. Accepted articles are usually combined in thematic issues on certain topics according to the journal editorial policy. Authors featured in the journal represent renowned scientific laboratories and institutes from different countries, including large international collaborations. There are globally recognized researchers among the authors: Nobel laureates and recipients of other awards, and members of national academies of sciences and international scientific societies.