相关论文: Doping optimization for the power factor of bipola…

We present a study of heat and charge transport in Bi$_{2+x}$Sr$_{2-x}$CuO$_{6+\delta}$ focused on the size of the low-temperature linear term of the thermal conductivity at optimal doping level. In the superconducting state, the magnitude…

Half-Heusler compounds usually exhibit relatively higher lattice thermal conductivity that is undesirable for thermoelectric applications. Here we demonstrate by first-principles calculations and Boltzmann transport theory that the BiBaK…

Inhomogeneously doped thermoelectric nanomaterials with a delta-function electronic density of states can operate with Carnot efficiency in the absence of phonon heat leaks. Here we self-consistently calculate the efficiency and power from…

In search of new prospects for thermoelectric materials, using ab-initio calculations and semi-classical Boltzmann theory, we have systematically investigated the electronic structure and transport properties of 18-valence electron count…

The bottleneck in modern thermoelectric power generation and cooling is the low energy conversion efficiency of thermoelectric materials. The detrimental effects of lattice phonons on performance can be mitigated, but achieving a high…

The thermoelectric efficiency of semiconductors is usually considered in the ohmic electronic transport regime, which is achieved through high doping. Here we consider the opposite regime of low doping where the current-voltage…

It is believed that nanostructuring is an effective way to achieve excellent thermoelectric performance. In the work, by combining the first-principles calculations and semiclassical Boltzmann transport theory, we investigate the…

Using first-principles calculations combined with Boltzmann transport theory, we investigate the effects of topological edge states on the thermoelectric properties of Bi nanoribbons. It is found that there is a competition between the edge…

Search of new thermoelectric (TE) materials with high \textit{figure-of-merit} (ZT) is always inspired the researcher in TE field. Here, we present a combined experimental and theoretical study of TE properties of Na$_{0.74}$CoO$_{2}$…

Recent studies demonstrate that novel 2D triphosphides semiconductors possess high carrier mobility and promising thermoelectric performance, while the carrier transport behaviors in 2D semimetal triphosphides have never been elucidated…

Polar metals, materials that exhibit both electric polarization and high conductivity, can also host topological phases. Because free carriers strongly suppress distortive polar order and change the Fermi level, controlling charge dynamics…

Using the density functional theory (DFT) in combination with Boltzmann transport theory, the influence of Mg concentrations (x) doping on the thermoelectric properties of Hg1-xMgxSe ternary alloys was systematically investigated. The…

Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but…

Here, we investigate the thermoelectric properties of the marcasite-type compounds MSb$_2$ (M = Ta, Nb) in the temperature range of 310-730 K. These compounds were synthesized by a solid-state reaction followed by the spark plasma sintering…

The observation of helical surface states in Bi-based three-dimensional topological insulators has been a challenge since their theoretical prediction. The main issue raises when the Fermi level shifts deep into the bulk conduction band due…

Using Monte Carlo electronic transport simulations, coupled self-consistently with the Poisson equation for electrostatics, we explore the thermoelectric power factor of nanoengineered materials. These materials consist of alternating…

Thermoelectricity is a promising avenue for harvesting energy but large-scale applications are still hampered by the lack of highly-efficient low-cost materials. Recently, Fe$_2YZ$ Heusler compounds were predicted theoretically to be…

Topological insulators possess a non-conductive bulk and present surface states, henceforth, they are electrically conductive along their boundaries. Bismuth selenide ($Bi_2Se_3$) is one of the most promising topological insulators.…

The electronic and transport properties of CuInTe2 chalcopyrite are investigated using density functional calculations combined with Boltzmann theory. The band gap predicted from hybrid functional is 0.92 eV, which agrees well with…

Hall effect measurements in doped polymer semiconductors are widely reported, but are difficult to interpret due to screening of Hall voltages by carriers undergoing incoherent transport. Here, we propose a refined analysis for such Hall…