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K$_x$CoO$_2$ shares many similarities with Na$_x$CoO$_2$, as well as some important differences (no hydration-induced superconductivity has been reported). At $T_{c2}$=20 K, K$_{0.5}$CoO$_2$ becomes an insulator with a tiny optical gap as…
The transport and thermoelectric properties of the interface between SrTiO$_3$ and a 26-monolayer thick LaAlO$_3$-layer grown at high oxygen-pressure have been investigated at temperatures from 4.2 K to 100 K and in magnetic fields up to 18…
The current transport and thermoelectric properties of Fe3O4 / SiO2 / p-type Si(001) heterostructures with Fe3O4 thicknesses of 150, 200, and 350 nm have been investigated between 100 and 300 K. We observe a sharp drop of the in-plane…
The electronic properties of the layered black phosphorus (black-P) and its monolayer counterpart phosphorene are investigated by using the first-principles calculations based on the density functional theory (DFT). The room-temperature…
The thermal conductivity of polycrystalline samples of (Na,Ca)Co_2O_4 is found to be unusually low, 20 mW/cmK at 280 K. On the assumption of the Wiedemann-Franz law, the lattice thermal conductivity is estimated to be 18 mW/cmK at 280 K,…
Polycrystalline samples of Er$_{1-x}$Ho$_x$NiSb ($x$ = 0, 0.2, 0.3, 0.5, 0.7, 0.8, 1) were characterized by means of x-ray powder diffraction (XRD), scanning electron microscopy (SEM), and optical metallography. The results proved the…
Results of thermo-electric power (S) and electrical resistivity (r) measurements are reported on NaxCoO2 compounds with x = 1.0, 0.7 and 0.6. These are single-phase compounds crystallizing in the hexagonal structure (space group P63/mmc) at…
We have evaluated the power factor of transition metal oxides at high temperatures using the Heikes formula and the Ioffe-Regel conductivity. The evaluated power factor is found to be nearly independent of carrier concentration in a wide…
Phonon transport of recently-fabricated $\mathrm{Na_2He}$ at high pressure is investigated from a combination of first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation…
The electronic and thermoelectric (TE) transport properties of 13 n-type and p-type half-Heusler alloys are computationally examined using Boltzmann transport. The electronic scattering times resulting from all relevant phonon interactions…
The electronic, structural, optical, and thermoelectric properties of the Cs2O cubic structure have been investigated using density functional theory (DFT). The calculations utilize a full relativistic version of the full-potential…
Pb-based compounds have garnered considerable theoretical and experimental attention due to their promising potential in energy-related applications. In this study, we explore the glass-like alkali metal lead oxides X$_2$PbO$_3$ (X=Li, Na,…
Thermoelectric properties of the system La$_2$NiO$_{4+\delta}$ have been recently discussed [Phys. Rev. B 86, 165114 (2012)] via ab initio calculations. An optimum hole-doping value was obtained with reasonable thermopower and…
Th$_3$Te$_4$ materials are potential candidates for commercial thermoelectric (TE) materials at high-temperature due to their superior physical properties. We incorporate the multiband Boltzmann transport equations with firstprinciples…
We perform an ab initio computational investigation of the electronic and thermoelectric transport properties of one of the best performance half-Heusler (HH) alloys, NbFeSb. We use Boltzmann Transport equation while taking into account the…
We have investigated two-dimensional thermoelectric properties in transition metal oxide heterostructures. In particular, we adopted an unprecedented approach to direct tuning of the 2D carrier density using fractionally {\delta}-doped…
Recently, $\mathrm{BaSn_2}$ is predicted to be a strong topological insulator by the first-principle calculations. It is well known that topological insulator has a close connection to thermoelectric material, such as $\mathrm{Bi_2Te_3}$…
Low dimensional structures have demonstrated improved thermoelectric (TE) performance because of a drastic reduction in their thermal conductivity, {\kappa}l. This has been observed for a variety of materials, even for traditionally poor…
Within the t-J model we study several experimentally accessible properties of the 2D-triangular lattice system Na$_x$CoO$_2$, using a numerically exact canonical ensemble study of 12 to 18 site triangular toroidal clusters as well as the…
We report the electrical, magnetic and thermal measurements on a layered cobalt oxyhydrate Na$_{0.31}$CoO$_{2}\cdot$1.3H$_{2}$O. Bulk superconductivity at 4.3 K has been confirmed, however, the measured superconducting fraction is…