Theoretical study on electronic structure and thermoelectric properties of PbSxTe1−x(x = 0.25, 0.5, and 0.75) solid solution<xref rid="cpb_27_2_026103_fn1" ref-type="fn">*</xref> <fn id="cpb_27_2_026103_fn1"> <label>*</label> Project supported by the National Natural Science Foundation of China (Grant Nos. 11647010 and 11704020), the Higher Education and High-quality and World-class Universities (Grant No. PY201611), and the Fund for Disciplines Construction from Beijing University of Chemical Technology (Grant No. XK1702). </fn>

Theoretical study on electronic structure and thermoelectric properties of PbS_xTe_1−x(x = 0.25, 0.5, and 0.75) solid solution* *

Project supported by the National Natural Science Foundation of China (Grant Nos. 11647010 and 11704020), the Higher Education and High-quality and World-class Universities (Grant No. PY201611), and the Fund for Disciplines Construction from Beijing University of Chemical Technology (Grant No. XK1702).

Lu Yong^†, Li Kai-yue, Zhang Xiao-lin, Huang Yan, Shao Xiao-hong^‡

(color online) The special quasi-random structures of PbS_xTe_1−x solid solution with (a) x = 0.25, (b) x = 0.5, and (c) x = 0.75, respectively. The number of atoms in the SQS unit cell is 32.