相关论文: A First-principles approach to predict Seebeck coe…

We report first principles LDA calculations of the electronic structure and thermoelectric properties of $\beta $-Zn$_{4}$Sb$_{3}$. The material is found to be a low carrier density metal with a complex Fermi surface topology and…

We report the thermoelectric (TE) properties of (1-x)LaCoO3.xLa0.7Sr0.3MnO3 (0 < x < 0.10) composite in a temperature range 320-800 K. Addition of La0.7Sr0.3MnO3 to LaCoO3 in small amount (5 weight %) improves the overall Seebeck…

The electronic and phonon transport properties of quaternary tetradymite BiSbSeTe2 are investigated using first-principles approach and Boltzmann transport theory. Unlike the binary counterpart Bi2Te3, we obtain a pair of Rashba splitting…

We study the role of charge density-wave fluctuations on the temperature dependence of Seebeck coefficient in quasi-one dimensional conductors with a Peierls instability. The description of low-dimensional incommensurate charge density-wave…

Thermoelectric transport coefficients are determined for semiconductor quantum wires with weak thickness fluctuations. Such systems exhibit anomalies in conductance near 1/4 and 3/4 of 2e^2/h on the rising edge to the first conductance…

We present the thermoelectric (TE) properties of LaCoO$_{3}$ compound in the temperature range 300-600 K. The experimental value of Seebeck coefficient ($\alpha$) at 300 K is found to be $\sim$635 $\mu$V/K. The value of $\alpha$ decreases…

The physical properties of polycrystalline Ce3-xTe4 were investigated by measurements of the thermoelectric properties, Hall coefficient, heat capacity, and magnetization. The fully-filled, metallic x=0 compound displays a soft…

Thermoelectric effects have attracted wide attention in recent years from physicists and engineers. In this work, we explore the selfsimilar patterns in the thermoelectric effects of monolayer graphene based structures, by using the quantum…

The transport properties of the perovskites KTaO$_3$ are calculated using first-principles methods. Our study is based on Boltzmann transport theory and the relaxation time approximation, where the scattering rate is calculated using an…

We have combined the Boltzmann transport equation with an {\it ab initio} approach to compute the thermoelectric coefficients of semiconductors. Electron-phonon, ionized impurity, and electron-plasmon scattering rates have been taken into…

Thermoelectric properties of the type-I clathrates Ba$_8$Cu$_x$Si$_{46-x}$ ($3.6 \leq x \leq 7$, $x$ = nominal Cu content) are investigated both experimentally and theoretically. The polycrystalline samples are prepared either by melting,…

Thermoelectric phenomena in photoexcited graphene have been the topic of several theoretical and experimental studies because of their potential usefulness in optoelectronic applications. However, available theoretical descriptions of the…

A high Seebeck coefficient (S), large electrical conductivity ({\sigma}), and reduced thermal conductivity ({\kappa}) are required to achieve a high figure-of-merit (zT) in an ideal thermoelectric (TE) system, which is challenging in a…

This study analyzes thermoelectric properties of a one-dimensional random conductor which shows localization effects and simultaneously includes resonant scatterers yielding sharp conductance resonances. These sharp features give rise to a…

The thermoelectric figure of merit of the Heusler alloy TiFe$_{1.5}$Sb was investigated by first-principles calculations of lattice thermal conductivity. The electronic thermal conductivity, electrical conductivity, and Seebeck coefficient…

The electronic structure and thermoelectric properties of SnSe are studied by first-principles methods. The inclusion of van der Waals dispersive corrections improves the agreement of structural parameters with experiments. The bands…

The Seebeck coefficient plays a fundamental role in identifying the efficiency of a thermoelectric device. Its theoretical evaluation for atomistic models is routinely based on Density Functional Theory calculations combined with the…

Topological Insulators are the best thermoelectric materials involving a sophisticated physics beyond their solid state and electronic structure. We show that exists a topological contribution to the thermoelectric effect that arise between…

We report about the results of theoretical calculations of temperature dependence of resistivity ($\rho$) and Seebeck coefficient ($S$) for thermoelectric (TE) and superconductivity (SC) phases by arithmetic equations based on narrow band…

We discuss the Seebeck coefficient and the Hall mobility of electrons confined in narrow SrTiO3 quantum wells as a function of the three-dimensional carrier density and temperature. The quantum wells contain a fixed sheet carrier density of…