Dynamical mean-field theory study of a ferromagnetic CrI3 monolayer

We have employed one of the well-known many-body techniques, density functional theory plus dynamical mean-field theory (DFT + DMFT), to investigate the electronic structure of ferromagnetic monolayer CrI3 as a function of temperature and hole-doping concentration. The computed magnetic susceptibili...

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Bibliographic Details
Published inarXiv.org
Main Authors Chang-Jong, Kang, Hong, Jeonghoon, Kim, Jeongwoo
Format Paper Journal Article
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 15.04.2022
Subjects
Curie temperature
Density functional theory
Doping
Electron spin
Electronic structure
Ferromagnetism
Magnetic moments
Magnetic permeability
Magnetic properties
Magnetism
Mean field theory
Monolayers
Physics - Materials Science
Physics - Strongly Correlated Electrons
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Summary:We have employed one of the well-known many-body techniques, density functional theory plus dynamical mean-field theory (DFT + DMFT), to investigate the electronic structure of ferromagnetic monolayer CrI3 as a function of temperature and hole-doping concentration. The computed magnetic susceptibility follows the Curie's law, indicating that the ferromagnetism of monolayer CrI3 originates from localized magnetic moments of Cr atoms rather than Stoner-type itinerant ones. The DFT + DMFT calculations show a different coherent temperature for each spin component, demonstrating apparent strong spin-dependent electronic correlation effects in monolayer CrI3. Furthermore, we have explored the doping-dependent electronic structure of monolayer CrI3 and found that its electronic and magnetic properties are easily tunable by the hole-doping.
ISSN:2331-8422
DOI:10.48550/arxiv.2204.07307