Effect of uniaxial strain on the electronic and magnetic properties of N2SrRb: a DFT study

Abstract

ABSTRACT Using the first-principles density functional theory calculations, we examined the effect of uniaxial strain on the electronic and magnetic properties of full-Heusler alloy N2SrRb. Our results show that N2SrRb is a ferromagnetic full-Heusler alloy, and it exhibits half metallic properties with 100% spin polarisation when no strain is applied. The half-metallic and magnetic properties of N2SrRb were retained under the ranges of tensile and compressive strain applied. The spin flip gap was found to increase as the tensile strain increases, while it decreases as the compressive strain increases. The mechanical properties show that the full-Heusler alloy is mechanically stable and having a ductile characteristics