Role of Spin–Orbit Interaction and Impurity Doping in Thermodynamic Properties of Monolayer MoS2

Abstract

Using linear response theory, a tight-binding Hamiltonian model, and the Green’s function technique, the influences of spin–orbit interaction (SOI) and impurity doping on the electronic heat capacity (EHC) and magnetic susceptibility (MS) of monolayer MoS2 have been investigated. The effect of scattering on dilute charged impurities is discussed in terms of the self-consistent Born approximation. We have calculated the temperature dependence of the EHC and MS for different values of SOI, concentration, and scattering strength of dopant impurity. The results show that, in the presence of impurities, the heat capacity of MoS2 decreases (increases) before (after) the Schottky anomaly, as does the MS. It is also found that the EHC and MS of the doped MoS2 reduce with the SOI in all temperature ranges.