Magnetic Behavior in TiS3 Nanoribbon

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.

Layer-Structured Anisotropic Metal Chalcogenides: Recent Advances in Synthesis, Modulation, and Applications

“…The calculated magnetic moment per transition metal atom is around 1.71–2.02 μ B for Fe 6 X 6 (X = S, Se), 0.97–1.18 μ B for Co 6 X 6 (X = S, Se, Te), and 0.62 μ B for Re 6 S 6 , respectively . In the case of N-a-TiS 3 NRBs (here, a indicates the viewing axis of the NRBs, and N indicates the number of Ti atoms in the monoclinic cell of the ribbons), theoretical works found that the magnetic ground state is a ferromagnetic metal when N is equal to an odd number, whereas it behaves like an antiferromagnetic metal when N is equal to an even number . Recently, strong magneto-crystalline anisotropy has been observed in the exfoliated NWs of CrSbSe 3 , where the NWs showed a reduced Curie–Weiss temperature, but higher coercivity and remanence than the bulk phase (Figures a,b) .…”

“…2 In the case of N-a-TiS 3 NRBs (here, a indicates the viewing axis of the NRBs, and N indicates the number of Ti atoms in the monoclinic cell of the ribbons), theoretical works found that the magnetic ground state is a ferromagnetic metal when N is equal to an odd number, whereas it behaves like an antiferromagnetic metal when N is equal to an even number. 225 Recently, strong magneto-crystalline anisotropy has been observed in the exfoliated NWs of CrSbSe 3 , where the NWs showed a reduced Curie−Weiss temperature, but higher coercivity and remanence than the bulk phase (Figures 8a,b). 101 The hysteresis loop observed in the magnetization curve for these NWs clearly suggest persistent long-range ferromagnetic ordering in the NWs even after exfoliation from bulk CrSbSe 3 (Figure 8a).…”

Anisotropic quasi-one-dimensional layered transition-metal trichalcogenides: synthesis, properties and applications

“…52 Lai et al reported a comparative investigation into the magnetic properties and tensile strain response of N-a(b)-TiS 3 nanoribbons, where a-TiS 3 and b-TiS 3 are nanoribbons reviewed along either the a-or b-axis and N indicates the number of Ti atoms in the monoclinic cell of the ribbons. 53 It was found that the magnetic ground state was a ferromagnetic (FM) metal when N was equal to an odd number, whereas it behaved like an antiferromagnetic (AFM) metal when N was equal to an even number for N-a-TiS 3 nanoribbons. Tensile strain (6%) could be used to tune 9-a(b)-TiS 3 nanoribbons from a FM metal to a half metal.…”

“…Similarly, tensile strain (4%) also could cause an AFM to FM transition in 10-a-TiS 3 nanoribbons. 53…”