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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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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 |
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. |
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