Resonant States in the Electronic Structure of the High Performance Thermoelectrics AgPb${}_{m}SbTe$_{2+m}$ ; The Role of Ag-Sb Microstructures

Daniel Bilc, S. D. Mahanti, Kuei-Fang Hsu +3

Ab initio electronic structure calculations based on gradient corrected density functional theory were performed on a class of novel quaternary compounds AgPb${}_{m}SbTe$_{2+m}$, whi…