ABSTRACT

The Seebeck coefficient a, the electrical conductivity s, and the total thermal conductivity l (given by the

sum of the lattice and the electronic contributions l

and l

) are all dependent on the material’s

composition, atomic arrangement, and electronic band structure. Generally speaking, these systems may

be studied either emphasizing the band structure view typical of physicists or the chemical bond view

typical of chemists. The authors try to combine these two perspectives in this chapter wherever it is

possible and convenient. Native defects, doping, and nanostructuring may affect significantly the

properties of the TE materials. In some cases, it is possible to account for these effects either by studying

the perturbations they induce on the electronic band structure of a regularly periodic system, or by

viewing the defect as a real space local modification both of the crystal atomic structure and of the

bonding network.