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.
Highlights
The properties of materials are essentially associated with dimensionality
zigzag graphene nanoribbons (ZGNRs) can carry a spin current response to an external electric field, which opens a new path to the application of spintronics [14]
In this article, using first-principles calculation, we systematically study the magnetic properties of TiS3 nanoribbon
Summary
The properties of materials are essentially associated with dimensionality. Due to low dimensionality, quantum confinement and their promising applications in spintronics, optronics, thermoelectrics [1,2,3,4], etc., one-dimensional (1D) nanostructures, such as nanotubes, nanowires, nanobelts, and nanoribbons, have drawn a lot of attention during the past two decades [5,6,7]. A recent theoretical study proposed that TiS3 is expected to have a higher electron mobility of 10,000 cm V−1 s−1 [29] Such a robust bandgap and ultrahigh electron mobility make TiS3 a good candidate for nanoelectronics and optoelectronics application. In this article, using first-principles calculation, we systematically study the magnetic properties of TiS3 nanoribbon. When N is odd, the ground state is ferromagnetism (FM), the ground state is anti-ferromagnetism (AFM)when N is even This magnetic behavior is very different from other magnetic nanoribbons, such as zigzag black phosphorene nanoribbons [22] and zigzag graphene nanoribbons [12,13], whose magnetic properties are almost independent on the width of nanoribbon. Our findings show that the a-TiS3 NRs are promising candidates for spintronics and electronics application
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