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) Transport coefficients map of PbS_xTe_{1 − x} as a function of carrier concentration and temperature for x = 0.25 (left), 0.50 (mid), and 0.75 (right), respectively. Panels (a)–(c) show the Seebeck coefficient, S (μV·K⁻¹); panels (d)–(f) show the electronic conductivity, σ (mΩ⁻¹⋅cm⁻¹); panels (g)–(f) show the power factor, S ²σ(W⋅m⁻¹⋅K⁻²). The negative scale of x axis stands for the n-type, while the positive scale represents the p-type.