Related papers: The lattice and electronic thermal conductivity of…
The family of Van der Waals dichalcogenides (VdWDs) includes a large number of compositions and phases, exhibiting varied properties and functionalities. They have opened up a novel electronics of two-dimensional materials, characterized by…
We present a simple and efficient approximation to the electron-phonon scattering rate suitable for high-throughput screening of candidate materials for thermoelectric devices, based on electronic transport. The method is applied to…
Layered tin selenide (SnSe) has recently emerged as a high-performance thermoelectric material with the current record for the figure of merit (ZT) observed in the high-temperature Cmcm phase. So far, access of the Cmcm phase has been…
Monolayer films of FeSe grown on SrTiO$_3$ substrates are electron doped relative to bulk and exhibit a significantly higher superconducting transition temperatures. We present density functional calculations and a modified Schottky model…
The role of doping in tailoring thermal transport in semiconductors is critical for efficient thermal management in electronic devices. While the effects of doping have been extensively studied to tune electrical properties, its impact on…
We present a comprehensive computational study of the electronic, thermal, and thermoelectric (TE) properties of gallium nitride nanowires (NWs) over a wide range of thicknesses (3--9 nm), doping densities ($10^{18}$--$10^{20}$ cm$^{-3}$),…
Ternary intermetallic half-Heusler (HH) compounds (XYZ) with 18 valence electron count viz. ZrCoSb, ZrNiSn, and ZrPdSn, have revealed promising thermoelectric properties. Exemplarily, it has been experimentally observed that a slight change…
These compounds have long been known as promising thermoelectric materials. Recently it was revealed, that they also have unconventional electronic topology. This renewed interest to the investigation of their transport properties. In order…
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…
Efficient and precise calculations of thermal transport properties and figure of merit, alongside a deep comprehension of thermal transport mechanisms, are essential for the practical utilization of advanced thermoelectric materials. In…
We report the transport properties of mechanically exfoliated few-layer SnSe$_{2}$ flakes, whose mobility is found with four probe measurements to be ~ 85 cm$^{2}$V$^{-1}$s$^{-1}$ at 300 K, higher than those of the majority of few-layer…
Understanding thermal transport in layered transition metal dichalcogenide (TMD) crystals is crucial for a myriad of applications exploiting these materials. Despite significant efforts, several basic thermal transport properties of TMDs…
The effect of electron-phonon scattering processes over the thermoelectric properties of extrinsic graphene was studied. Electrical and thermal resistivity, as well as the thermopower, were calculated within the Bloch theory approximations.…
SnS and SnSe are isoelectronic materials with a common phase diagram. Recently, SnSe was found to be the most efficient intrinsic thermoelectric material in its high-temperature Cmcm phase above 800 K. Making use of first-principles…
The Wiedemann-Franz (WF) law, relating the electronic thermal conductivity ($\kappa_{\rm e}$) to the electrical conductivity, is vital in numerous applications such as in the design of thermoelectric materials and in the experimental…
There is an ongoing debate about the relative importance of structural change versus doping charge carriers on the mechanism of superconductivity in Fe-based materials. Elucidating this issue is a major challenge since it would require a…
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…
Efficient ab initio computational methods for the calculation of thermoelectric transport properties of materials are of great avail for energy harvesting technologies. The BoltzTraP code has been largely used to efficiently calculate…
The ability to transport energy is a fundamental property of the two-dimensional Dirac fermions in graphene. Electronic thermal transport in this system is relatively unexplored and is expected to show unique fundamental properties and to…
The electronic and thermoelectric (TE) transport properties of 13 n-type and p-type half-Heusler alloys are computationally examined using Boltzmann transport. The electronic scattering times resulting from all relevant phonon interactions…