Related papers: A First-principles approach to predict Seebeck coe…
In the ongoing search for innovative thermoelectric (TE) materials with superior TE performance globally, we aim to investigate the possible use of half-Heusler alloy CoHfSi in TE applications. We analyzed the structure stability,…
A thermal gradient generates an electric field in any solid hosting mobile electrons. In presence of a finite magnetic field (or Berry curvature) this electric field has a transverse component. These are known as Seebeck and Nernst…
Spin caloritronics studies the interplay between charge-, heat- and spin-currents, which are initiated by temperature gradients in magnetic nanostructures. A plethora of new phenomena has been discovered that promises, e.g., to make wasted…
The conventional thermoelectric figure of merit and the power factor are not sufficient as a measure of thin film quality of thermoelectric materials, where the power conversion efficiency depends on the film dimensions. By considering the…
Impressive advances in the field of molecular spintronics allow one to study electron transport through individual magnetic molecules embedded between metallic leads in the purely quantum regime of single electron tunneling. Besides…
Ge$_{2}$Sb$_{2}$Te$_{5}$ (GST) has been widely used as a popular phase change material. In this study, we show that it exhibits high Seebeck coefficients 200 - 300 $\mu$V/K in its cubic crystalline phase ($\it{c}$-GST) at remarkably high…
At the ultra-thin film limit, quantum confinement strongly improves thermoelectric figure of merit in materials such as Sb$_2$Te$_3$ and Bi$_2$Te$_3$. These high quality films have only been realized using well controlled techniques such as…
Alloys based on lanthanum phosphate (LaPO$_{4}$) are often employed as thermal barrier coatings, due to their low thermal conductivity and structural stability over a wide temperature range. To enhance the thermal-insulation performance of…
Here we present a theoretical study of the thermoelectric transport through {[}2,2{]}para\-cyclo\-phane-based single-molecule junctions. Combining electronic and vibrational structures, obtained from density functional theory (DFT), with…
We report here metal to insulator transition, colossal Seebeck coefficient and ultralow thermal conductivity (0.0057th of its bulk value, significantly smaller than many well-known thermoelectric materials and silicon, showing potential…
We investigate theoretically the thermoelectric transport through a circuit implementation of the three-channel "charge" Kondo model quantum simulator [Z. Iftikhar et al., Science 360, 1315 (2018)]. The universal temperature scaling law of…
We study the thermoelectric transport properties in the three-dimensional Anderson model of localization near the metal-insulator transition [MIT]. In particular, we investigate the dependence of the thermoelectric power S, the thermal…
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…
We combine in-situ electrical transport and Seebeck coefficient measurements with the ionic liquid gating technique to investigate superconductivity and the normal state of FeySe1-xTex (FST) films. We find that the pristine FST films…
We used fully correlated ab initio calculations to determine the effective parameters of Hubbard and t - J models for the thermoelectric misfit compound $\rm Ca_3Co_4O_9$. As for the $\rm Na_xCoO_2$ family the Fermi level orbitals are the…
Unlike in conventional semiconductors, both the chemical potential and the band gap in bilayer graphene (BLG) can be tuned via application of external electric field. Among numerous device implications, this property also designates BLG as…
Thermopower and the Lorentz number for an edge-free (Corbino) graphene disk in the quantum Hall regime is calculated within the Landauer-B\"{u}ttiker formalism. We find, by varying the electrochemical potential, that amplitude of the…
Using a simplified microscopic model of coupled spin and lattice excitations in a ferromagnetic insulator we evaluate the magnetic-field dependence of the spin Seebeck effect at low temperatures. The model includes Heisenberg exchange…
This tutorial outlines the basic theoretical concepts and tools which underpin the fundamentals of phase-coherent electron transport through single molecules. The key quantity of interest is the transmission coefficient T(E), which yields…
Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO$_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the…