Thermoelectric Properties and Electronic Structure of Ca3Co2O6

The nanosized Ca3Co2O6 powder was synthesized via sol-gel process.The phase composition was characterized by means of X-ray diffraction.Polycfrystalline swnples of Ca3Co2O6 were prepared by a sintering procedure of nanosized power.The seebeck cofficient and electrical conductivity of the samples were measured from 450K up to 750 K.The results show that the Seebeck coefficient increases with the increasing temperature.The electronic structures were calculated using the self-cwtsistent full-potential linearized augmentedc plane-wave (LAPW) method within the density functional theory.The relationship between thermoelectric property and electronic structures was discussed.