Strain-Controlled Magnetic and Optical Properties of Monolayer 2H-TaS e2

Abstract

First-principles calculations are used to probe the effects of mechanical strain on the magnetic and optical properties of monolayer (ML) 2H?TaSe2. A complex dependence of these physical properties on strain results in unexpected spin behavior, such as ferromagnetism under uniaxial, in-plane, tensile strain and a lifting of the Raman-active E? phonon degeneracy.