Magnetic Behavior in TiS3 Nanoribbon

Shengqiang Lai; Yongping Du

doi:10.3390/ma12213501

Magnetic Behavior in TiS₃ Nanoribbon

Materials (Basel). 2019 Oct 25;12(21):3501. doi: 10.3390/ma12213501.

Authors

Shengqiang Lai¹, Yongping Du²

Affiliations

¹ The School of Physics, Nanjing University, Nanjing 210093, China.
² Department of Applied Physics and Institution of Energy and Microstructure, Nanjing University of Science and Technology, Nanjing 210094, China.

Abstract

The electronic structure, magnetic properties and strain response of N-a-TiS₃ nanoribbons are investigated by first-principles calculations. We find that the magnetic ground state is strongly dependent on width of a-TiS₃. 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-TiS₃ 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-TiS₃ nanoribbon. Our findings show that N-a-TiS₃ is a promising candidate for spintronic and electronic applications.

Keywords: TiS3; magnetic property; nanoribbon; strain effect.

Abstract

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