Related papers: A First-principles approach to predict Seebeck coe…
Certain classes of strongly correlated systems promise high thermopower efficiency, but a full understanding of correlation effects on the Seebeck coefficient is lacking. This is partly due to limitations of Boltzmann-type approaches. One…
We look for manifestations of quantum interference effects in the Seebeck coefficient of a molecular junction, when the electronic conductance exhibits pronounced destructive interference features due to the presence of quasi-degenerate…
We calculate the Kapitza conductance, which is the proportionality coefficient between heat flux and temperature jump at the interface, for the case of two conducting solids separated by the interface. We show that for conducting solids in…
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…
We present measurements of resistivity and thermopower of Fe1+xTe1-ySey single crystalline samples with y=0, 0.1, 0.2, 0.3 and 0.45 in zero field and in a magnetic field B=8T. We propose a qualitative analysis of the temperature behavior of…
High $ZT$ value and large Seebeck coefficient have been reported in the nanostructured Fe-doped Si-Ge alloys. In this work, the large Seebeck coefficient in Fe-doped Si-Ge systems is qualitatively reproduced from the computed electronic…
Using the tools of random matrix theory we develop a statistical analysis of the transport properties of thermoelectric low-dimensional systems made of two electron reservoirs set at different temperatures and chemical potentials, and…
We review some aspects of the realistic implementation of the dynamical mean-field method. We extend the techniques introduced in Ref.[A. Georges, G. Kotliar, W. Krauth, and M.J. Rozenberg, Rev. Mod. Phys. 68, 13 (1996)] to include the…
The correlated couple of electrical and thermal property is the challenge to realize a substantial leap in thermoelectric materials.Synthesis of semiconductor and metal composites is a significant and versatile design strategy to optimize…
It is generally assumed in the thermoelectric community that the lattice thermal conductivity of a given material is independent of the electronic properties. This perspective is however questionable since the electron-phonon coupling could…
In search of a reliable methodology for the prediction of light absorption and emission of Ce$^{3+}$-doped luminescent materials, 13 representative materials are studied with first-principles and semiempirical approaches. In the…
The temperature dependence of the charge carrier density, mobility and Seebeck coefficient of melt-grown, bulk ZnGa2O4 single crystals was measured between 10 K and 310 K. The electrical conductivity at room temperature is about s = 286…
A simple two-band model is used to describe the magnitude and temperature dependence of the magnetic susceptibility, Hall coefficient and Seebeck data from undoped and Co doped BaFe2As2. Overlapping rigid parabolic electron and hole bands…
We report the first principles study of structural, elastic, electronic, optical and thermoelectric properties of newly synthesized K2Cu2GeS4. The structural parameters are found to be in good agreement with experimental results. The single…
Enhancing the dimensionless figure of merit zT is central to developing better thermoelectric materials and advancing thermoelectric generation technology. However, the intrinsic interdependence between electrical conductivity, the Seebeck…
Lee, Rice and Anderson, in their monumental paper, have proved the existence of a collective mode describing the coupled motion of electron density and phonons in one-dimensional incommensurate charge density wave (CDW) in the Peierls…
The present work investigates the less explored thermoelectric properties of n-type GaN semiconductors by combined both the experimental and computational tools. Seebeck coefficients of epitaxial thin films of GaN were experimentally…
The unique structure of Zintl phase makes it an ideal system to realize the concept of phonon-glass and electron-crystal in the thermoelectric community. In this work, by combining first-principles calculations and Boltzmann transport…
A new formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. A one-to-one correspondence is proven between the three basic variables of the theory, i.e., the density…
The goal of this work is studying the evolution of thermoelectric transport across the members of the Ruddlesden-Popper series iridates Srn+1IrnO3n+1, where a metal-insulator transition driven by bandwidth change occurs, from the strongly…