Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In

[Image: see text] Using density functional theory calculations, we examine the effect of hole doping on the magnetic and electronic properties of CuM(IIIA)O(2), with M(IIIA) = Al, Ga, and In. CuM(IIIA)O(2) nonmagnetic semiconductors switch to ferromagnetic half-metals upon hole doping. For CuAlO(2),...

Descripción completa

Detalles Bibliográficos
Autores principales: Iordanidou, Konstantina, Persson, Clas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8289245/
https://www.ncbi.nlm.nih.gov/pubmed/34152119
http://dx.doi.org/10.1021/acsami.1c00403
_version_ 1783724262696157184
author Iordanidou, Konstantina
Persson, Clas
author_facet Iordanidou, Konstantina
Persson, Clas
author_sort Iordanidou, Konstantina
collection PubMed
description [Image: see text] Using density functional theory calculations, we examine the effect of hole doping on the magnetic and electronic properties of CuM(IIIA)O(2), with M(IIIA) = Al, Ga, and In. CuM(IIIA)O(2) nonmagnetic semiconductors switch to ferromagnetic half-metals upon hole doping. For CuAlO(2), the nonmagnetic-to-ferromagnetic transition occurs for hole densities of ∼7 × 10(19)/cm(3). Ferromagnetism arises from an exchange splitting of the electronic states at the valence band edge, and it can be attributed to the high-lying Cu-d states. Hole doping induced by cation vacancies and substitutional divalent dopants is also investigated. Interestingly, both vacancies and nonmagnetic divalent dopants result in the emergence of ferromagnetism.
format Online
Article
Text
id pubmed-8289245
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-82892452021-07-20 Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In Iordanidou, Konstantina Persson, Clas ACS Appl Mater Interfaces [Image: see text] Using density functional theory calculations, we examine the effect of hole doping on the magnetic and electronic properties of CuM(IIIA)O(2), with M(IIIA) = Al, Ga, and In. CuM(IIIA)O(2) nonmagnetic semiconductors switch to ferromagnetic half-metals upon hole doping. For CuAlO(2), the nonmagnetic-to-ferromagnetic transition occurs for hole densities of ∼7 × 10(19)/cm(3). Ferromagnetism arises from an exchange splitting of the electronic states at the valence band edge, and it can be attributed to the high-lying Cu-d states. Hole doping induced by cation vacancies and substitutional divalent dopants is also investigated. Interestingly, both vacancies and nonmagnetic divalent dopants result in the emergence of ferromagnetism. American Chemical Society 2021-06-21 2021-06-30 /pmc/articles/PMC8289245/ /pubmed/34152119 http://dx.doi.org/10.1021/acsami.1c00403 Text en © 2021 The Authors. Published by American Chemical Society Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Iordanidou, Konstantina
Persson, Clas
Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In
title Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In
title_full Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In
title_fullStr Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In
title_full_unstemmed Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In
title_short Stoner Ferromagnetism in Hole-Doped CuM(IIIA)O(2) with M(IIIA) = Al, Ga, and In
title_sort stoner ferromagnetism in hole-doped cum(iiia)o(2) with m(iiia) = al, ga, and in
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8289245/
https://www.ncbi.nlm.nih.gov/pubmed/34152119
http://dx.doi.org/10.1021/acsami.1c00403
work_keys_str_mv AT iordanidoukonstantina stonerferromagnetisminholedopedcumiiiao2withmiiiaalgaandin
AT perssonclas stonerferromagnetisminholedopedcumiiiao2withmiiiaalgaandin

Ejemplares similares