The electronic structure calculation based on gradient corrected density function theory were performed. The study was performed on a class of novel quanternary compounds on AgPbmSbTe2+m, which were found to be high temperature thermoelectrics. It was found that resonant states appear near the top of the valence and bottom of the conduction band of bulk PbTe when Ag and Sb replace Pb. It was also observed that the electronic structure near the gap depends on the microstructural arrangements of Ar-Sb atoms.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)