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Highly spin-polarized electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) Heusler alloys: first-principles calculations
Highly spin-polarized half-metals (HMs) and spin-gapless semiconductors (SGSs) are the promising candidates in spintronic devices. However, the HM and SGS Heusler materials are very sensitive to the stoichiometric defects and lattice distortion, which will be not beneficial to the practical applicat...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054682/ https://www.ncbi.nlm.nih.gov/pubmed/35514575 http://dx.doi.org/10.1039/d0ra03413d |
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author | Wang, Yue Wang, Liying Mi, Wenbo |
author_facet | Wang, Yue Wang, Liying Mi, Wenbo |
author_sort | Wang, Yue |
collection | PubMed |
description | Highly spin-polarized half-metals (HMs) and spin-gapless semiconductors (SGSs) are the promising candidates in spintronic devices. However, the HM and SGS Heusler materials are very sensitive to the stoichiometric defects and lattice distortion, which will be not beneficial to the practical applications. Here, the electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) (x = 0, 0.25, 0.50, 0.75 and 1.00) Heusler alloys were investigated by first-principles calculations. Large negative formation energy, cohesive energy and phonon spectra confirm that the Mn(2.25)Co(0.75)Al(1−x)Ge(x) alloys are stable. It is found that Mn(2.25)Co(0.75)Al(1−x)Ge(x) with x = 0, 0.25, 0.75 and 1.00 show robust ferrimagnetic HM characteristics, while Mn(2.25)Co(0.75)Al(0.5)Ge(0.5) shows robust SGS characteristic. Under the hydrostatic and uniaxial strains, Mn(2.25)Co(0.75)Al(1−x)Ge(x) exhibit a series of rich electronic transitions. The magnetic anisotropy of Mn(2.25)Co(0.75)Al(1−x)Ge(x) turns from the in-plane [100] direction to the out-of-plane [001] one by applying the uniaxial strains. The results suggest that the complete spin polarizations of Mn(2.25)Co(0.75)Al(1−x)Ge(x) alloys are robust against the stoichiometric defects and lattice distortion, which have potential applications in spintronic devices. |
format | Online Article Text |
id | pubmed-9054682 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-90546822022-05-04 Highly spin-polarized electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) Heusler alloys: first-principles calculations Wang, Yue Wang, Liying Mi, Wenbo RSC Adv Chemistry Highly spin-polarized half-metals (HMs) and spin-gapless semiconductors (SGSs) are the promising candidates in spintronic devices. However, the HM and SGS Heusler materials are very sensitive to the stoichiometric defects and lattice distortion, which will be not beneficial to the practical applications. Here, the electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) (x = 0, 0.25, 0.50, 0.75 and 1.00) Heusler alloys were investigated by first-principles calculations. Large negative formation energy, cohesive energy and phonon spectra confirm that the Mn(2.25)Co(0.75)Al(1−x)Ge(x) alloys are stable. It is found that Mn(2.25)Co(0.75)Al(1−x)Ge(x) with x = 0, 0.25, 0.75 and 1.00 show robust ferrimagnetic HM characteristics, while Mn(2.25)Co(0.75)Al(0.5)Ge(0.5) shows robust SGS characteristic. Under the hydrostatic and uniaxial strains, Mn(2.25)Co(0.75)Al(1−x)Ge(x) exhibit a series of rich electronic transitions. The magnetic anisotropy of Mn(2.25)Co(0.75)Al(1−x)Ge(x) turns from the in-plane [100] direction to the out-of-plane [001] one by applying the uniaxial strains. The results suggest that the complete spin polarizations of Mn(2.25)Co(0.75)Al(1−x)Ge(x) alloys are robust against the stoichiometric defects and lattice distortion, which have potential applications in spintronic devices. The Royal Society of Chemistry 2020-06-12 /pmc/articles/PMC9054682/ /pubmed/35514575 http://dx.doi.org/10.1039/d0ra03413d Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/ |
spellingShingle | Chemistry Wang, Yue Wang, Liying Mi, Wenbo Highly spin-polarized electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) Heusler alloys: first-principles calculations |
title | Highly spin-polarized electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) Heusler alloys: first-principles calculations |
title_full | Highly spin-polarized electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) Heusler alloys: first-principles calculations |
title_fullStr | Highly spin-polarized electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) Heusler alloys: first-principles calculations |
title_full_unstemmed | Highly spin-polarized electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) Heusler alloys: first-principles calculations |
title_short | Highly spin-polarized electronic structure and magnetic properties of Mn(2.25)Co(0.75)Al(1−x)Ge(x) Heusler alloys: first-principles calculations |
title_sort | highly spin-polarized electronic structure and magnetic properties of mn(2.25)co(0.75)al(1−x)ge(x) heusler alloys: first-principles calculations |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054682/ https://www.ncbi.nlm.nih.gov/pubmed/35514575 http://dx.doi.org/10.1039/d0ra03413d |
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