Investigation of thermoelectric properties of ZnV2O4 compound at high temperatures

摘要: In the present work, we report experimental thermopower (α) data for ZnV2O4 in high temperature range 300–600 K. The values of α are found to be ~184 and ~126 μV K−1 at ~300 ~600 K, respectively. dependent behavior is almost linear measured range. order understand large positive observed this compound, have also investigated electronic thermoelectric properties by combining ab initio structure calculations with Boltzmann transport theory. Within local spin density approximation plus Hubbard U, anti-ferromagnetic ground state calculation gives an energy gap ~0.33 eV U = 3.7 eV, which accordance results. effective mass holes valence band nearly four times that electrons conduction band. mainly responsible value compound. There reasonably good matching between calculated 300–410 power factor shows region can enhanced tuning sample synthesis conditions suitable doping. estimated figure-of-merit, ZT, p-type doped ~0.3 900–1400 It suggests appropriate amount doping, compound a material region.