Effect of strain on the electronic and magnetic properties of bilayer T-phase VS2: A first-principles study

TL;DR

This study uses DFT calculations to explore how tensile and compressive strain influence the electronic and magnetic properties of bilayer T-phase VS2, revealing strain-dependent changes in anisotropy, exchange interactions, and Curie temperature.

Contribution

It provides a detailed first-principles analysis of strain effects on the magnetic and electronic properties of bilayer VS2, highlighting the tunability of magnetic anisotropy and Curie temperature.

Findings

Tensile strain enhances easy-plane magnetic anisotropy.

Compressive strain reduces Curie temperature below -4%.

Strain significantly alters exchange interactions.

Abstract

Using the Density Functional Theory (DFT) calculations, we determined the electronic and magnetic properties of a T-phase VS$_2$ bilayer as a function of tensile and compressive strain. First, we determine the ground state structural parameters and then the band structure, magnetic anisotropy, exchange parameters, and Curie temperature. Variation of these parameters with the strain is carefully analyzed and described. The easy-plane anisotropy, which is rather small in the absence of strain, becomes remarkably enhanced by tensile strain and reduced almost to zero by compressive strain. We also show that the exchange parameters and the Curie temperature are remarkably reduced for the compressive strains below roughly -4$\%$.