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 calculated electronic DOSs of PbS_xTe_1−x solid solution for (a) the total DOSs, (b) pure PbTe, (c) pure PbS, (d) PbS_0.25Te_0.75, (e) PbS_0.5Te_0.5, and (f) PbS_0.75Te_0.25, respectively. All the Fermi levels are set at zero.