Research / 2020 / Article / Fig 5

Review Article

Defects Engineering with Multiple Dimensions in Thermoelectric Materials

Figure 5

Influence on electronic band structure and DOS via inducing point defects. (a) Calculated electronic band structure of pristine Cu2SnSe3 (top) and Cu2SnSe3 with Sn vacancy (bottom) [63]. Reproduced with permission from the American Chemical Society. (b) Projected partial DOS of pristine BiCuSeO [64]. (c) Band structure of pristine BiCuSeO [64]. Reproduced with permission from the American Physical Society. (d) Orbital-resolved band structures of Bi0.875Pb0.125CuSeO; the line width reflects the weight of impurity Pb states in bands [46]. (e) Orbital-projected density of states in BiCuSeO doped with Pb, Mg, Sr, and Ba [46]. Reproduced with permission from WILEY-VCH. (f) Band structure of Pb27Te27 and EuPb26Te27 [20]. Reproduced with permission from WILEY-VCH (g) DOS of Ge0.99In0.01Te with a rhomboidal phase [72]. Reproduced with permission from WILEY-VCH.