Related papers: Predicting the optimized thermoelectric performanc…
The doping and temperature dependent thermopower of SnTe is calculated from the first principles band structure using Boltzmann transport theory. We find that the $p$-type thermopower is inferior to PbTe consistent with experimental…
Searching for natural materials exhibiting larger electron-electron interactions constitutes a traditional approach to high temperature superconductivity research. Very recently we pointed out that the newly developed field of…
We report a thermal transport study of IrSbSe, which crystallizes in a noncentrosymmetric cubic structure with the $P2_13$ space group and shows a narrow-gap semiconducting behavior. The large discrepancy between the activation energy for…
The alloys with 8/18/24 valence electron count (VEC) are promising candidates for efficient energy conversion and refrigeration applications at low as well as high temperatures. The full potential linearized augmented plane wave method as…
The Mg2X (X=Si, Ge, Sn) based alloy is an eco-friendly thermoelectric material for mid-temperature applications. The Mg2Si1-xSnx and Mg2Ge1-xSnx alloys can be phase-separated into Si(Ge)- and Sn-rich phases during material synthesis,…
We demonstrate high-temperature thermoelectric conversion in InAs/InP nanowire quantum dots by taking advantage of their strong electronic confinement. The electrical conductance G and the thermopower S are obtained from charge transport…
Significant progress has been made in the field of thermophotovoltaics, with efficiency recently rising to over 40% due to improvements in cell design and material quality, higher emitter temperatures, and better spectral management.…
The increase of a thermoelectric material's figure of merit (ZT value) is limited by the interplay of the transport coefficients. Here we report the greatly enhanced thermoelectric performance of a ZrS2 monolayer by the biaxial tensile…
We present thermoelectric properties of Be$_2$C monolayer based on density functional theory and semi-classical Boltzmann transport theory. Electronic structure calculations predict this material as a semiconductor with a direct bandgap of…
Electrical resistivity, magnetic susceptibility, and specific heat measurements on single crystals of La$Tr_2$Al$_{20}$ with $Tr$ = Mo and W revealed that these compounds exhibit superconductivity with transition temperatures $T_c$ = 3.22…
$\beta$-Ag$_2$Se is a promising material for room temperature thermoelectric applications and magneto-resistive sensors. However, no attention was paid earlier to the hysteresis in the temperature dependence of resistivity ($\rho$($T$)).…
We present numerical simulations of the acoustic-phonon-limited mobility, $\mu_{ac}$, and phonon-drag thermopower, $S^{g}$, in two-dimensional electron gases confined in MgZnO/ZnO heterostructures. The calculations are based on the…
We report a transport, thermodynamic, and spectroscopic study of the recently identified topological semiconductor ZrTe$_5$ with a focus on elucidating the connections between its band structure and unusual thermoelectric properties. Using…
We apply the generalized Boltzmann theory to describe thermoelectric transport properties of monolayer phosphorene in the presence of short- and long-range charged impurity interactions. First, we propose a low-energy Hamiltonian to explore…
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…
Using the Eliashberg strong coupling theory with vertex correction, we calculate maps of transition temperatures (T$_{c}$) of electron-phonon superconductors in full parameter space. The maximums of transition temperatures for…
Half-Heusler (HH) alloys are potential thermoelectric materials for use at elevated temperatures due to their high Seebeck coefficient and superior mechanical and thermal stability. However, their enhanced lattice thermal conductivity is…
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…
We present electrical transport, magnetization, and specific heat measurements on bulk MgB2 samples (T_{c} = 38.5 K) synthesized under 200 MPa pressure using a process based on hot isostatic pressing with cooling under pressure. The samples…
The lattice thermal conductivity of the candidate thermoelectric material Mg$_3$Sb$_2$ is studied from first principles, with the inclusion of anharmonic, isotope, and boundary scattering processes, and via an accurate solution of the…