The scattering lifetime and thermoelectric properties for an inorganic flexible material of α-Ag2S

To clarified the influence of the scattering mechanism on thermoelectric properties alpha-Ag2S, the relationship between the scattering lifetime and transport properties of the inorganic flexible material alpha-Ag2S are investigated for the first time using first-principles calculation, Boltzmann transport theory, and the momentum relaxation time approximation (MRTA). Calculations reveal that the static dielectric constant, high frequency dielectric constant, and elastic constant are anisotropic. The acoustic deformation potential scattering (ADP), the ionized impurity scattering (IMP), the piezoelectric scattering (PIE), and the polar optical phonon scattering (POP) of alpha-Ag2S are first calculated, and the IMP and POP are found to be the major contributions for scattering mechanism. Furthermore, it is also found that the transverse wave of alpha-Ag2S effects on electrons along the XZ shear strain direction are non-negligible. These insights provide a new direction for the regulation of thermoelectric properties in alpha-Ag2S by offering a deeper understanding of the scattering mechanisms.