Fig. 3
From: Complex electronic structure and compositing effect in high performance thermoelectric BiCuSeO
Electronic structure and calculated electrical transport properties of Bi1 − xPbxCuSeO. a Electronic band structure and total density of states (DOS) of Bi0.875Pb0.125CuSeO. b Comparison of DOS at valence band top (−0.3 to 0 eV) between BiCuSeO and Bi0.875Pb0.125CuSeO. Carrier concentration dependences of c the effective mass, d Seebeck coefficient, e electrical conductivity, and f power factor for Bi1 − xPbxCuSeO. The blue and red lines in c are estimated from the DOS of the pristine and Pb-doped BiCuSeO, respectively. The red lines in d–f are calculated based on the Boltzmann transport theory and calculated effective masses md* (the red line in c) of Bi0.875Pb0.125CuSeO by assuming acoustic phonon scattering (300 K). The blue line in d is the estimated band degeneracy, and the gray line is estimated by assuming the SPB model and a constant effective mass of 2m0. The error bar of PF in f is 10%
