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Magnetic Behavior in TiS(3) Nanoribbon

The electronic structure, magnetic properties and strain response of N-a-TiS(3) nanoribbons are investigated by first-principles calculations. We find that the magnetic ground state is strongly dependent on width of a-TiS(3). When N equals an odd number the ground state is a ferromagnetic (FM) metal...

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Detalles Bibliográficos
Autores principales: Lai, Shengqiang, Du, Yongping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6862672/
https://www.ncbi.nlm.nih.gov/pubmed/31731449
http://dx.doi.org/10.3390/ma12213501
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author Lai, Shengqiang
Du, Yongping
author_facet Lai, Shengqiang
Du, Yongping
author_sort Lai, Shengqiang
collection PubMed
description The electronic structure, magnetic properties and strain response of N-a-TiS(3) nanoribbons are investigated by first-principles calculations. We find that the magnetic ground state is strongly dependent on width of a-TiS(3). When N equals an odd number the ground state is a ferromagnetic (FM) metal, meanwhile, when N equals an even number the ground state is an anti-ferromagnetic (AFM) metal. More interestingly, a tensile strain as large as 6% can tune the 9-a-TiS(3) nanoribbon from a FM metal to a half metal. A 4% tensile strain also causes a phase transition from AFM to FM ground state for 10-a-TiS(3) nanoribbon. Our findings show that N-a-TiS(3) is a promising candidate for spintronic and electronic applications.
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spelling pubmed-68626722019-12-05 Magnetic Behavior in TiS(3) Nanoribbon Lai, Shengqiang Du, Yongping Materials (Basel) Article The electronic structure, magnetic properties and strain response of N-a-TiS(3) nanoribbons are investigated by first-principles calculations. We find that the magnetic ground state is strongly dependent on width of a-TiS(3). When N equals an odd number the ground state is a ferromagnetic (FM) metal, meanwhile, when N equals an even number the ground state is an anti-ferromagnetic (AFM) metal. More interestingly, a tensile strain as large as 6% can tune the 9-a-TiS(3) nanoribbon from a FM metal to a half metal. A 4% tensile strain also causes a phase transition from AFM to FM ground state for 10-a-TiS(3) nanoribbon. Our findings show that N-a-TiS(3) is a promising candidate for spintronic and electronic applications. MDPI 2019-10-25 /pmc/articles/PMC6862672/ /pubmed/31731449 http://dx.doi.org/10.3390/ma12213501 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Lai, Shengqiang
Du, Yongping
Magnetic Behavior in TiS(3) Nanoribbon
title Magnetic Behavior in TiS(3) Nanoribbon
title_full Magnetic Behavior in TiS(3) Nanoribbon
title_fullStr Magnetic Behavior in TiS(3) Nanoribbon
title_full_unstemmed Magnetic Behavior in TiS(3) Nanoribbon
title_short Magnetic Behavior in TiS(3) Nanoribbon
title_sort magnetic behavior in tis(3) nanoribbon
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6862672/
https://www.ncbi.nlm.nih.gov/pubmed/31731449
http://dx.doi.org/10.3390/ma12213501
work_keys_str_mv AT laishengqiang magneticbehaviorintis3nanoribbon
AT duyongping magneticbehaviorintis3nanoribbon