Related papers: Thermoelectric properties of two-dimensional Dirac…
In order to improve the thermoelectric performance of TiCoSb we have substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se equally at Sb site. The electronic structure of Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 is investigated…
Here, we have investigated the thermoelectric properties of FeMnScGa alloy by combined use of full potential linearized augmented plane-wave (FP-LAPW) method and Boltzmann transport theory implemented in Wien2K and BoltzTraP code,…
The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional theory using hybrid functionals facilitated by the $\mathbf{k}…
The thermoelectric properties in one- and two-dimensional silicon and germanium structures have been investigated using first-principle density functional techniques and linear response for the thermal and electrical transport. We have…
The Seebeck coefficient and electrical conductivity are two critical quantities to optimize simultaneously in designing thermoelectric materials, and they are determined by the dynamics of carrier scattering. We uncover a new regime where…
In the past decade, it has been demonstrated that monolayers of metal dichalcogenides are well-suited for thermoelectric applications. ZrX2N4 (X = Si, Ge) is a reasonable choice for thermoelectric applications when considering a favorable…
We investigated the thermoelectric properties of the 2D monolayer of WX2N4 using Density Functional Theory combined with Boltzmann Transport Equation. We obtained an outstanding thermoelectric figure of merit of 0.91 at 400K for p-type…
We investigate the thermoelectric properties of a quantum dot coupled to ferromagnetic and superconducting electrodes. The combination of spin polarized tunneling at the ferromagnetic-quantum dot interface and the application of an external…
We numerically study the disorder effect on the thermoelectric and thermal transport for bilayer graphene under a strong perpendicular magnetic field. In the unbiased case, we find that the thermoelectric transport has similar properties as…
The electronic thermal conductivity of graphene and 2D Dirac materials is of fundamental interest and can play an important role in the performance of nano-scale devices. We report the electronic thermal conductivity, $K_{e}$, in suspended…
We study thermoelectric properties of the system composed of a monoatomic chain on a surface and additional electrode coupled to the chain, which can be an STM tip. In particular, we are interested in thermopower, electric and thermal…
The development of thermoelectric devices faces not only the challenge of optimizing the Seebeck coefficient, the electrical and thermal conductivity of the active material, but also further bottlenecks when going from the thermoelectric…
On the basis of self-consistent Born approximation for Dirac fermions under charged impurity scatterings in graphene, the theory for calculating the thermo-electric power is developed by using the heat current-current correlation function.…
A thermal gradient and/or a chemical potential gradient in a conducting medium can lead to an electric field, an effect known as thermoelectric effect or Seebeck effect. In the context of heavy-ion collisions, we estimate the thermoelectric…
We investigate the thermoelectric performance of 2D nanojunctions with gate tunable architectures and varying channel lengths from 3 to 12 nm using a combination of first principles simulations, including density functional theory, DFT with…
The effects of various transition metal dopants on the electrical and thermal transport properties of Fe1-xMxSi alloys (M= Co, Ir, Os) are reported. The maximum thermoelectric figure of merit ZTmax is improved from 0.007 at 60 K for pure…
By using first-principles tight-binding electronic structure calculation and Boltzmann transport equation, we investigate the size dependence of thermoelectric properties of silicon nanowires (SiNWs). With cross section area increasing, the…
We present an infrared spectroscopy study of ZrTe$_5$, which confirms a recent theoretical proposal that this material exhibits a temperature-driven topological quantum phase transition from a weak to a strong topological insulating state…
Thermoelectric semiconducting materials are often evaluated by their figure-of-merit, zT. However, by using zT as the metric for showing improvements, it is not immediately clear whether the improvement is from an enhancement of the…
Within the framework of nonequilibrium Green's functions, we investigate the thermoelectric transport in a single molecular junction with electron-phonon and electron-electron interactions. By transforming into a displaced phonon basis, we…