Thermoelectric transport and Rashba spin splitting of black arsenic phosphorus under strain regulation

Abstract

Abstract The Rashba spin-splitting and thermoelectric transport of two-dimensional black arsenic phosphorus (2D B-AsP) under strain control are studied using non-equilibrium Green's function and first-principles calculations. Firstly, we determine the stability range of 2D B-AsP under strain conditions, with biaxial strain ranging from −2% to +10% and uniaxial strain ranging from −9% to +10%. Secondly, we analyze the spin splitting at the point Γ under strain within the range from −1% to +2%, and find that the spin-splitting coefficient decreases with increasing strain. Thirdly, we discuss the effects of applying strain and changing temperature on 2D B-AsP thermoelectric transport. When the uniaxial compression strain is −4%, the ZT coefficient increases by 14.8%, and increases by 193.6% at a temperature of 600 K. Finally, when two external conditions exist simultaneously, the ZT coefficient of the material increases by 103.4%. The research results demonstrate the potential applications of 2D B-AsP in spintronics and thermoelectricity.