A first-principles study of the substitutional doping of the MgCl2 monolayer for spintronics applications

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorLima, Igo Tôrres-
Autor(es): dc.creatorVasconcelos, Railson-
Autor(es): dc.creatorGargano, Ricardo-
Autor(es): dc.creatorPaura, Edson Nunes Costa-
Data de aceite: dc.date.accessioned2021-10-14T18:09:04Z-
Data de disponibilização: dc.date.available2021-10-14T18:09:04Z-
Data de envio: dc.date.issued2021-06-11-
Data de envio: dc.date.issued2021-06-11-
Data de envio: dc.date.issued2019-
Fonte completa do material: dc.identifierhttps://repositorio.unb.br/handle/10482/41157-
Fonte completa do material: dc.identifierhttps://doi.org/10.1039/D0NJ01264E-
Fonte completa do material: dc.identifierhttps://orcid.org/0000-0003-3823-7436-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/624692-
Descrição: dc.descriptionBased on first-principles calculations, we studied the functionalization of the MgCl2 monolayer with nonmetal (NM) and transition-metal (TM) atoms. Our results indicate that energetically it is more favorable to create a vacancy at the chloride site on the MgCl2 monolayer. Additionally, the substitutional doping process at the chloride site with NM (H, B, C, N, O, and F) and TM (V, Cr, Mn, Fe, Co, and Ni) atoms resulted in changes in values of the magnetic moment and the electronic states of the monolayer. This study suggests that the functionalized MgCl2 monolayer with NM and TM atoms could be a possible platform for electronic and spintronic devices.-
Publicador: dc.publisherRoyal Society of Chemistry-
Relação: dc.relationhttps://pubs.rsc.org/en/content/articlelanding/2020/nj/d0nj01264e#!divAbstract-
Direitos: dc.rightsAcesso Restrito-
Palavras-chave: dc.subjectCloreto de magnésio-
Palavras-chave: dc.subjectÁtomos-
Título: dc.titleA first-principles study of the substitutional doping of the MgCl2 monolayer for spintronics applications-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional – UNB

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