STUDY OF CHEVREL PHASES FOR THERMOELECTRIC APPLICATIONS - BAND-STRUCTURE CALCULATIONS ON MXMO6SE8 COMPOUNDS (M = METAL)

Chevrel phases, MxMo6Se8, present large voids in their lattice, where cations can be inserted. These cations are weakly bound and constitute good scattering centres for phonons. The lattice thermal conductivity of these compounds must be very low, and these phases are then good c andidates for thermoelectric application. nut most of them are metalli c and superconducting. Some band structure calculations have been perf ormed in order to find a semiconducting one. SnMo6Se8 and Cu2Mo6Se8 ar e found to be metallic and Zn2Mo6Se8 semiconducting.