Related papers: Determining Seebeck coefficient of heavily doped L…
In this work the electronic properties of Fe doped CuO thin films are studied by using a standard density functional theory. This approach is based on the abinitio calculations under the Korringa Kohn Rostoker coherent potential…
Theoretical descriptions of the Seebeck coefficient in terms of the differential electrical conductivity given by Cutler and Mott is the foundation of later works in terms of transmission function from the thermoelectric transport theory.…
We calculate the temperature dependence of the transport properties of heavy-fermion systems such as resistivity, optical conductivity, thermoelectric power, the electronic part of the thermal conductivity, and the "figure of merit." The…
We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture,…
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 report a systematic study on the effect of partial substitution of Sc$^{3+}$ by Ti$^{4+}$ in Sr$_{2}$ScFeAsO$_{3}$, Ca$_{2}$ScFeAsO$_{3}$ and Sr$_{3}$Sc$_{2}$Fe$_{2}$As$_{2}$O$_{5}$ on their electrical properties. High level of doping…
Thermoelectric properties of the system La$_2$NiO$_{4+\delta}$ have been studied ab initio. Large Seebeck coefficient values are predicted for the parent compound, and to some extent remain in the hole-doped metallic phase, accompanied of…
The Seebeck coefficient, $S=L_{12}/(TL_{11})$, which is proportional to a ratio of the thermoelectric conductivity $L_{12}$ to the electric conductivity $L_{11}$ with $T$ being temperature is examined for two-dimensional Dirac electrons in…
We present a strategy for increasing thermoelectric performance by invoking ferroelectric distortion in a transition-metal oxide. By using an ab initio calculation approach with the Boltzmann transport equation, a large Seebeck coefficient…
Density-functional theory is applied to compute the ground-state energies of quantum hard-sphere solids. The modified weighted-density approximation is used to map both the Bose and the Fermi solid onto a corresponding uniform Bose liquid,…
The present work represents a review for the numerical calculation of the density of states (DoS) for two-dimensional tight-binding models with first neighbors in its normal state and for two superconducting order parameters. One is a…
Superconductivity of doped SrTiO3 is proven to be a particular case of the broader concept of the non-adiabatic pairing mediated by phonons with frequency comparable or larger the Fermi energy. We argue that, for carrier concentrations…
Based on first-principles calculations, we study the origin of the large thermopower in Ni-doped LaRhO3 and Mg-doped CuRhO2. We calculate the band structure and construct the maximally localized Wannier functions from which a tight binding…
In this study, we aim to improve our understanding of the doping mechanism involved in the polymer PBDTTT-c doped with(Mo(tfd-COCF3)3. We follow the evolution of the hole density with dopant concentration to highlight the limits of organic…
In this work, we introduce models for deriving lower limits for the key parameters doping efficiency, charge carrier concentration, and charge carrier mobility from conductivity data of doped organic semiconductors. The models are applied…
Thermoelectric properties of the chemically-doped intermetallic narrow-band semiconductor FeGa3 are reported. The parent compound shows semiconductor-like behavior with a small band gap (Eg = 0.2 eV), a carrier density of ~ 10(18) cm-3 and,…
We report an investigation of temperature- and doping-dependent thermoelectric behaviors of topological semimetal Cd3As2. The electrical conductivity, thermal conductivity, Seebeck coefficient, and figure of merit (ZT) are calculated by…
The electronic structure of low-density n-type SrTiO3 delta-doped heterostructures is investigated by angular dependent Shubnikov-de Haas oscillations. In addition to a controllable crossover from a three- to two-dimensional Fermi surface,…
Temperature dependent thermoelectric power (TEP) data on Ba(Fe1-xTMx)2As2 (TM = Co and Cu), complemented by the Hall coefficient data on the samples from the same batches, have been measured. For Co-doping we clearly see a change in the…
Density functional calculations are used to investigate the doping dependence of the electronic structure and magnetic properties in hexagonal Na$_x$CoO$_2$. The electronic structure is found to be highly two dimensional, even without…