Environmental screening and ligand-field effects to magnetism in CrI3 monolayer

Abstract We study the microscopic origin of magnetism in suspended and dielectrically embedded CrI3 monolayer by down-folding minimal generalized Hubbard models from ab initio calculations using the constrained random phase approximation. These models are capable of describing the formation of local...

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Bibliographic Details
Main Authors: D. Soriano, A. N. Rudenko, M. I. Katsnelson, M. Rösner
Format: article
Language:EN
Published: Nature Portfolio 2021
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Online Access:https://doaj.org/article/812a9a99b71949928dbb11d68cc5032e
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