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

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 analysed and described. We show, that the easy-plane anisotropy, which rather small in the absence of strain, is remarkably enhanced by the tensile strain and reduced almost to zero by compressive strain. Also magnetic moment of Vanadium atoms is shown to be reduced by a compressive strain. We also show that the exchange parameters and the Curie temperature are remarkably reduced for the compressive strains below roughly -4$\%$.Comment: 7 Pages, 6 figures, 3 Table