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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
Descripción
Sumario: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.