Issue 9, 2021

Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide (VS4) nanowires with carriers induces half-metallicity

Abstract

Quasi one-dimensional (1D) vanadium tetrasulfide (VS4) nanowires (NWs) are synthetic semiconductors which combine with each other through van der Waals interactions to form bulk phases. However, the properties of these individual NWs remain unknown. Nevertheless, our calculations of their stability indicate that VS4 NWs can be separated from their bulk structures. Accordingly, we theoretically investigated the geometrical, electronic, and magnetic properties of bulk phase and isolated VS4 NWs. Our results indicate that both bulk phase and isolated VS4 NWs are semiconductors with band gaps of 2.24 and 2.65 eV, respectively, and that they prefer the antiferromagnetic (AFM) ground state based on DFT calculations. These calculations also suggested that isolated VS4 NWs show half-metallic antiferromagnetism upon electron and hole doping because carrier doping splits the spin degeneracy to induce local spin polarisation. As a result, spin polarisation currents in isolated VS4 NWs can be manipulated with locally applied gate voltage. Therefore, these 1D AFM materials have a high potential for advancing both fundamental research and spintronic applications because they are more resistant to magnetic perturbation than their 1D ferromagnetic counterparts.

Graphical abstract: Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide (VS4) nanowires with carriers induces half-metallicity

Supplementary files

Article information

Article type
Paper
Submitted
07 Janv. 2021
Accepted
04 Febr. 2021
First published
05 Febr. 2021

J. Mater. Chem. C, 2021,9, 3122-3128

Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide (VS4) nanowires with carriers induces half-metallicity

S. Li, J. He, P. Nachtigall, L. Grajciar and F. Brivio, J. Mater. Chem. C, 2021, 9, 3122 DOI: 10.1039/D1TC00096A

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