Chemical bonding and properties of "layered" quaternary antimonide oxide REOZnSb (RE = La, Ce, Pr, Nd).

An efficient route to construct a three-dimensional crystal structure is stacking of two-dimensional building blocks (2D-BBs). The crystal structures of potential thermoelectric compounds REOZnSb (RE = La, Ce, Pr, Nd) were virtually constructed from insulating [REO] and conducting [ZnSb] layers. Further optimizations performed by means of first-principles calculations show that REOZnSb should exhibit semimetal or narrow band-gap semiconductor behaviors, which is a prerequisite for high thermoelectric efficiency.

Thermoelectric properties of Eu(Zn(1-x)Cd(x))2Sb2.

The thermoelectric performance of EuZn(2)Sb(2) and EuCd(2)Sb(2) was optimized by mixed occupation of the transition metal position. Samples in the solid solution Eu(Zn(1-x)Cd(x))(2)Sb(2) with the CaAl(2)Si(2)-type crystal structure (space group Pm1) were prepared from the elements for compositions with x = 0, 0.1, 0.

A new type of thermoelectric material, EuZn2Sb2.

Polycrystalline EuZn(2)Sb(2) is prepared by direct reaction of the elements. Its composition, structure, magnetism, heat capacity, and thermoelectric properties have been investigated. EuZn(2)Sb(2) crystallizes in p3m space group with a=4.