相关论文: On the Best Bandstructure for Thermoelectric Perfo…

Theoretical thermoelectric nanophysics models of low-dimensional electronic heat engine and refrigerator devices, comprising two-dimensional hot and cold reservoirs and an interconnecting filtered electron transport mechanism have been…

The multi-terminal generalization of the steady-state density functional theory for the description of electronic and thermal transport (iq-DFT) is presented. The linear response regime of the framework is developed leading to exact…

We report the temperature evolution of the Dirac band in semiconducting zirconium pentatelluride (ZrTe$_5$) using magneto-infrared spectroscopy. We find that the band gap is temperature independent at low temperatures and increases with…

Temperature dependences of thermoelectric power S(T) at $T>T_c$ of the Hg-based high temperature superconductors Hg$_{1-x}$R$_x$Ba$_2$Ca$_2$Cu$_3$O$_{8+\delta}$ (R=Re, Pb) have been analyzed with accounting for strong scattering of charge…

We report magnetotransport studies on a gated strained HgTe device. This material is a threedimensional topological insulator and exclusively shows surface state transport. Remarkably, the Landau level dispersion and the accuracy of the…

Boltzmann transport calculations based on band structures generated with density functional theory (DFT) are often used in the discovery and analysis of thermoelectric materials. In standard implementations, such calculations require dense…

Thermoelectric phenomena are traditionally associated with the interconversion of thermal and electrical energy in many-body systems. In the context of high-temperature quantum chromodynamics (QCD) matter produced in relativistic heavy-ion…

It was recently shown [Y. Suzuki, L. Lacombe, K. Watanabe, and N. T. Maitra, Phys. Rev. Lett. 119, 263401 (2017)] that peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory are…

Thermodynamic uncertainty relations (TURs) represent a benchmark result in nonequilibrium physics that allows to place fundamental lower bounds on the noise-to-signal ratio (precision) of currents in nanoscale devices. Originally formulated…

We study the pressure dependence of the superconducting transition temperature of an organic superconductor $\beta'$-(BEDT-TTF)$_2$ICl$_2$ by applying the fluctuation exchange method to the Hubbard model on the original two-band lattice at…

Recently, $\mathrm{BaSn_2}$ is predicted to be a strong topological insulator by the first-principle calculations. It is well known that topological insulator has a close connection to thermoelectric material, such as $\mathrm{Bi_2Te_3}$…

Silicon carbide nanoparticles with diameters around 8 nm and with narrow size distribution have been finely mixed with doped silicon nanopowders and sintered into bulk samples to investigate the influence of nanoinclusions on electrical and…

As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…

The study of topological quantum materials for enhanced thermoelectric energy conversion has received significant attention recently. Topological materials (including topological insulators and Dirac/Weyl/nodal-line semi-metals) with unique…

In this work, we have investigated the electronic structure and thermoelectric properties of quaternary heusler alloy, FeRuTiSi, using first principle DFT tools implemented in WIEN2k and BoltzTraP code. Electronic structure calculations…

A nanostructured thermoelectric device is designed by connecting a double-barrier resonant tunneling heterostructure to two electron reservoirs. Based on Landauers equation and Fermi-Dirac statistics, the exact solution of the heat flow is…

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…

A finite electronic band gap is a standard filter in high-throughput screening of materials using density functional theory (DFT). However, because of the systematic underestimation of band gaps in standard DFT approximations, a number of…

By using a first-principles approach, monolayer PbI$_2$ is found to have great potential in thermoelectric applications. The linear Boltzmann transport equation is applied to obtain the perturbation to the electron distribution by different…

The dynamical, dielectric and elastic properties of GeTe, a ferroelectric material in its low temperature rhombohedral phase, have been investigated using first-principles density functional theory. We report the electronic energy bands,…