相关论文: High thermoelectric power factor through topologic…

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…

Thermoelectric (TE) devices have been attracting increasing attention because of their ability to convert heat directly to electricity. To date, improving the TE figure of merit remains the key challenge. The advent of the topological…

Topological semimetals provide new opportunities for exploring new thermoelectric phenomena, because of their exotic and nontrivial electronic structure topology around the Fermi surface. In this study, we report on the discovery of giant…

Thermoelectrics are promising to address energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor.…

This work investigates how site-specific doping can enhance the thermoelectric performance of tetragonal Cu$_{2}$S using Density functional Theory and Projected Atomic Orbital Framework for Electronic Transport. We address the gap in…

Realization of tunable superconductivity with concomitant nontrivial band topology is conceptually intriguing and highly desirable for superconducting devices and topological quantum computation. Based on first-principles calculations, here…

There is a growing momentum in recent thermoelectric materials research for flexible materials which enhance power output and efficiency at human wearable temperatures. In our previous work, we established the method to improve…

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…

A flattened electronic band is one of several possible routes for increasing the strength of the pairing interactions in a superconductor. With this in mind, we show here that thermodynamic measurements of the high-Tc cuprates reveal an…

Kagome magnet TbMn$_6$Sn$_6$ is a new type of topological material that is known to support exotic quantum magnetic states. Experimental work has identified that TbMn$_6$Sn$_6$ hosts Dirac electronic states that could lead to topological…

Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in thermal management applications. However, finding highly…

It is suggested that low dimensionality can improve the thermoelectric (TE) power factor of a device, offering an enhancement of the ZT figure of merit. In this work the atomistic sp3d5s*-spin-orbit-coupled tight-binding model and the…

We have theoretically investigated the thermoelectric properties of impurity-doped one-dimensional semiconductors, focusing on nitrogen-substituted (N-substituted) carbon nanotubes (CNTs), using the Kubo formula combined with a…

Two-dimensional (2D) bismuth (Bi) layer, known as bismuthene, exhibits $Z2$ topological bulk states due to large spin-orbit coupling that inverts the bands. Using the tight-binding method, we calculate the band structure of buckled…

The thermoelectric power S and the thermal conductivity k of stoichiometric and vacancy-doped CaB6 have been measured between 5 and 300 K. The thermopower of both materials is surprisingly large at room temperature. Across the whole covered…

Large efforts in improving thermoelectric energy conversion are devoted to energy filtering by nanometer size potential barriers. In this work we perform an analysis and optimization of such barriers for improved energy filtering. We merge…

Bi2Te3 based thermoelectric devices typically use a nickel layer as a diffusion barrier to block the diffusion of solder or copper atoms from the electrode into the thermoelectric material. Previous studies have shown degradation in the…

Layered Zintl compounds exhibit significant tunability of thermoelectric (TE) parameters facilitated by their multiple elemental combinations and flexibility in stacking order within the layers. In this work, the effect of stacking order on…

Dirac/Weyl semimetals hosting linearly-dispersing bands have received recent attention for potential thermoelectric applications, since their ultrahigh-mobility carriers could generate large thermoelectric and Nernst power factors. To…

Topological insulators and semimetals as well as unconventional iron-based superconductors have attracted major recent attention in condensed matter physics. Previously, however, little overlap has been identified between these two vibrant…