Related papers: "Pudding mold" band drives large thermopower in Na…
A potential thermoelectric material CuAlO$_2$ is theoretically studied. We first construct a model Hamiltonian of CuAlO$_2$ based on the first principles band calculation, and calculate the Seebeck coefficient. Then, we compare the model…
We study the origin of the large thermopower in quasi-two-dimensional a $\tau$-type organic conductor, $\tau-(EDO-S,S-DMEDT-TTF)_2(AuBr_2)_{1+y}$ ($y \le 0.875$), from the view point of a "pudding mold"-type band structure. We calculate the…
Efficient thermoelectric materials require a rare and contraindicated combination of materials properties: large electrical conductivity, large Seebeck coefficient, and low thermal conductivity. One strategy to achieve the first two…
We report the measurement, using angle-resolved photoemission spectroscopy, of the metallic electronic structure of the hole-doped thermoelectric oxide CuRh$_{0.9}$Mg$_{0.1}$O$_2$. The material is found to have a ``pudding mold'' type band…
We investigate the thermoelectric propeties of the electron-doped FeAs$_2$ both experimentally and theoretically. Electrons are doped by partially substituting Se for As, which leads to a metallic behavior in the resistivity. A Seebeck…
We study the relationship between the shape of the electronic band structure and the thermoelectric properties. In order to study the band shape dependence of the thermoelectric properties generally, we first adopt models with band…
We propose a minimal model resolving a puzzle of enigmatic correlations observed in sodium-rich Na$_x$CoO$_2$ where one expects a simple, free motion of the dilute $S=1/2$ holes doped into a band insulator NaCoO$_2$. The model also predicts…
We theoretically investigate the thermoelectric properties of semiconducting (gapped) materials by varying the degrees of polynomials in their energy dispersion relations, in which either the valence or conduction energy dispersion depends…
Materials with reduced dimensionality offer beneficial density-of-states (DOS) profiles for thermoelectric energy conversion, but can be impractical in realistic devices. Encouragingly, bulk high-symmetry materials can also exhibit similar…
The origin of the recently discovered large thermopower in hole-doped PtSb$_2$ is theoretically analyzed based on a model constructed from first principles band calculation. It is found that the valence band dispersion has an overall…
We report measurement of room-temperature compressibility, thermal expansion, thermoelectric power a(T) at various pressures P < 20 kbar, basal-plane resistivity rab (T), magnetic susceptibility and thermal conductivity k(T) taken on…
The study of the strength of correlations in Na$_x$CoO$_2$ is extended to the x=0 end of the phase diagram where Mott insulating behavior has been widely anticipated. Inclusion of correlation as modeled by the LDA+U approach leads to a Mott…
High thermoelectric performance in oxides requires stable conductive materials that have suitable band structures. Here we show based on an analysis of the thermopower and related properties using first-principles calculations and Boltzmann…
The heat capacity of superconducting Na(x)CoO(2)*yH(2)O was measured and the data are discussed based on three different models: The thermodynamic Ginzburg-Landau model, the BCS theory, and a model including the effects of line nodes in the…
A transition-metal oxide NaCo_2O_4 is a layered oxide in which CoO_2 and Na alternately stack along the c axis. Recently we have found that this compound shows unusually large thermopower with low resistivity, which is comparable to those…
We study the origin of the large Seebeck coefficient despite the metallic conductivity in the La-doped SrTiO$_3$ and Ba-doped KTaO$_3$. We calculate the band structure of SrTiO$_3$ and KTaO$_3$, from which the Seebeck coefficient is…
We calculated the effects of spin-orbit interaction (SOI) on the energy bands, ballistic conductance and the electron-diffusion thermoelectric power of a nanowire by varying the temperature, electron density and width of the wire. The…
Charge ordering in doped \cob planes near the commensurate fillings $x = {1/4}$ and 1/3 are considered for $Na_x CoO_2.yH_2O$ and suggested to be competitors to superconductivity, leading to the experimentally seen narrow superconducting…
Using the merger of local density approximation and dynamical mean field theory, we show how electronic correlations increase the thermopower of Na$_{0.7}$CoO$_2$ by 200%. The newly revealed mechanism is an asymmetric shift of (quasi)…
We have performed thermal expansion and compressibility measurements on the recently discovered superconducting material NaxCoO2*4xD2O (x=1/3) using neutron powder diffraction over the temperature range 10-295 K and the pressure range 0-0.6…