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Substitutional 4d transition metal doping in atomically thin lead
To study the potential of plumbene as a dilute magnetic semiconductor, we computationally investigate the structural, electronic, and magnetic properties of 4d transition metal (TM) doped plumbene using density functional theory (DFT). These calculations show that Zr, Nb, Mo, Tc-doped plumbene syste...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8694863/ https://www.ncbi.nlm.nih.gov/pubmed/35423121 http://dx.doi.org/10.1039/d0ra09742j |
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author | Hashemi, Daniel Iizuka, Hideo |
author_facet | Hashemi, Daniel Iizuka, Hideo |
author_sort | Hashemi, Daniel |
collection | PubMed |
description | To study the potential of plumbene as a dilute magnetic semiconductor, we computationally investigate the structural, electronic, and magnetic properties of 4d transition metal (TM) doped plumbene using density functional theory (DFT). These calculations show that Zr, Nb, Mo, Tc-doped plumbene systems are magnetic while no magnetic solution was found for Y, Ru, Rh, and Pd-doped cases. We also calculate the magnetic couplings between two TM impurities in the system with an impurity concentration of less than 2%. Strong exchange couplings and large magnetic anisotropic energies, indicate the potential for spintronics applications. |
format | Online Article Text |
id | pubmed-8694863 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-86948632022-04-13 Substitutional 4d transition metal doping in atomically thin lead Hashemi, Daniel Iizuka, Hideo RSC Adv Chemistry To study the potential of plumbene as a dilute magnetic semiconductor, we computationally investigate the structural, electronic, and magnetic properties of 4d transition metal (TM) doped plumbene using density functional theory (DFT). These calculations show that Zr, Nb, Mo, Tc-doped plumbene systems are magnetic while no magnetic solution was found for Y, Ru, Rh, and Pd-doped cases. We also calculate the magnetic couplings between two TM impurities in the system with an impurity concentration of less than 2%. Strong exchange couplings and large magnetic anisotropic energies, indicate the potential for spintronics applications. The Royal Society of Chemistry 2021-02-03 /pmc/articles/PMC8694863/ /pubmed/35423121 http://dx.doi.org/10.1039/d0ra09742j Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/ |
spellingShingle | Chemistry Hashemi, Daniel Iizuka, Hideo Substitutional 4d transition metal doping in atomically thin lead |
title | Substitutional 4d transition metal doping in atomically thin lead |
title_full | Substitutional 4d transition metal doping in atomically thin lead |
title_fullStr | Substitutional 4d transition metal doping in atomically thin lead |
title_full_unstemmed | Substitutional 4d transition metal doping in atomically thin lead |
title_short | Substitutional 4d transition metal doping in atomically thin lead |
title_sort | substitutional 4d transition metal doping in atomically thin lead |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8694863/ https://www.ncbi.nlm.nih.gov/pubmed/35423121 http://dx.doi.org/10.1039/d0ra09742j |
work_keys_str_mv | AT hashemidaniel substitutional4dtransitionmetaldopinginatomicallythinlead AT iizukahideo substitutional4dtransitionmetaldopinginatomicallythinlead |