Highly anisotropic thermoelectric properties of carbon sulfide monolayers (1811.06656v1)

Abstract: Strain engineering applied to carbon monosulphide monolayers allows to control the bandgap, controlling electronic and thermoelectric responses. Herein, we study the semiconductor-metal phase transition of this layered material driven by strain control on the basis of first-principles calculations. We consider uniaxial and biaxial tensile strain and we find a highly anisotropic electronic and thermoelectonic responses depending on the direction of the applied strain. Our results indicate that strain-induced response could be an effective method to control the electronic response and the thermoelectric performance.