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

Ab initio calculations of the crystal structure and magnetic properties of intercalated Fe 0.33 TiS 2 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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Vydané v:	Bulletin of the Russian Academy of Sciences. Physics Ročník 88; číslo 9; s. 1415 - 1422
Hlavní autori:	Chubarova, A. A., Mamonova, M. V.
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Moscow Pleiades Publishing 01.09.2024 Springer Nature B.V
Predmet:	Crystal structure Energy Evolutionary algorithms Genetic algorithms Hadrons Heavy Ions Machine learning Magnetic properties Nuclear Physics Optimization Physics Physics and Astronomy Software packages crystal structure ab initio calculations intercalate magnetic moment evolutionary algorithm density of states
ISSN:	1062-8738, 1934-9432
On-line prístup:	Získať plný text
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