The Electronic Transport Channel Protection and Tuning in Real Space to Boost the Thermoelectric Performance of Mg3+δSb2-yBiy near Room Temperature
(a) Mg1-Mg2 distance and the ratio as function of Bi content. (b) Band effective mass as a function of the local distance of Mg1-Mg2 for the case with the -axis strain and Bi alloying effect. (c–e) Calculated band structures for Mg3Sb2-yBiy solid solutions with (c) , (d) , and (e) . In each figure, the color indicates the weight values (green: 1.0; red: 0.0) of Mg 3s orbitals in the band structures. The bands near CBM are mainly from Mg 3s orbitals.