What is the role of Fe in CuFeS2 and what effect it has on thermoelectric properties?

09 March 2015 1 8K Report

What is the role of Fe in CuFeS2 chalcopyrite system and what effect it has on thermoelectric properties?

The effect of Fe on the thermoelectric properties should be rather small. As Elias mentioned it is the sphalerite structure, where Fe3+ and Cu+ are replacing the Zn2+. The influence on the thermoelectric properties will not be caused by iron but by Cu+. As a d10 ion it has a strong influence on the DOS at the Fermi level. Steap DOS at the Fermi level are positively influencing the Seebeck coefficient.

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