Item

Abstract

The thermoelectric properties of single-crystalline and polycrystalline FeGa 3 are systematically investigated over a wide temperature range. At low temperatures, below 20 K, previously not known pronounced peaks in the thermal conductivity (400-800WK -1 m -1) with corresponding maxima in the thermopower (in the order of -16000muV K -1) were found in single-crystalline samples. Measurements in single crystals along [100] and [001] directions indicate only a slight anisotropy in both the electrical and thermal transports. From susceptibility and heat-capacity measurements, a magnetic or structural phase transition was excluded. Using density functional theory based calculations, we have revisited the electronic structure of FeGa 3 and compared the magnetic (including correlations) and nonmagnetic electronic densities of states. Thermopower at fixed carrier concentrations is calculated using semiclassical Boltzmann transport theory, and the calculated results match fairly with our experimental data. The inclusion of strong electron correlations treated in a mean field manner (by LSDA + U) does not improve this comparison, rendering strong correlations as the sole explanation for the low-temperature enhancement unlikely. Eventually, after a careful review, we assign the peaks in the thermopower as a manifestation of the phonon-drag effect, which is supported by thermopower measurements in a magnetic field.