Fig. 5: Calculation results of Te-doped Ag₂Se thin films.

Calculated band structures of (a) Ag₂Se (Ag₂₄Se₁₂) and (b) Te-doped Ag₂Se (Ag₂₄Se₁₁Te₁). (c) Measured κ_l compared with calculated κ_l as a function of temperature. d Theoretically derived spectral κ (κ_s) for Ag₂Se thin films with different Te concentrations x (x = 0, 0.7, 1.3, 1.9, 2.6, 3.2, and 3.8 at.%), with various phonon scatterings. Here scattering is from phonon-phonon Umklapp- and normal-process (U + N), vacancies/alloy elements (point defects, PD), grain boundaries (GB), and dislocations (DS). e Effect of point-defect scattering and (f) dependence of grain size on reducing κ_s as a function of Te content.