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The efficiency of energy conversion in thermoelectric generators (TEGs) isdirectly proportional to electrical conductivity and Seebeck coefficient whileinversely to thermal conductivity. The challenge is to optimize theseinterdependent parameters simultaneously. In this work, the problem isaddressed with a novel approach of nanostructuring and constructive electronicstructure modification to achieve a very high value of dimensionless figure ofmerit ZT greater than 3.6 at 1000 K with negative Seebeck coefficient.Supersaturated solid-solutions of Si-Ge containing 1 atomic percent Fe and 10atomic percent P are prepared by high-energy ball milling. The bulk samplesconsisting of ultra-fine nano-crystallites 9.7 nm are obtained by thesophisticated low-temperature & high-pressure sintering process. Despite thatthe electrical resistivity is slightly high due to the localization ofelectrons is associated with the highly disordered structure and low electricaldensity of states near the chemical potential, a very low thermal conductivity\k{appa} less than 1 W m-1K-1 and very large magnitude of Seebeck coefficientexceeding 470 uV K-1 are achieved in association with the nanostructuring andthe Fe 3d impurity states, respectively, to realize a very large magnitude ofZT.

Distinctive Thermoelectric Properties of Supersaturated Si-Ge-P Compounds: Achieving Figure of Merit ZT > 3.6