Related papers: On the Best Bandstructure for Thermoelectric Perfo…
High thermoelectric energy conversion efficiency requires a large figure-of-merit, zT, over a broad temperature range. To achieve this, we optimize the carrier concentrations of n-type PbTe from room up to hot-end temperatures by co-doping…
Half-metal ferromagnets were predicted [in IEEE Trans. Mag. 51, 1 (2015)] to give large thermoelectric performance in anti-parallel spin valve configuration. Despite being metals that suffer from the Wiedemann-Franz law, the additional spin…
We calculate thermal transport in the Falicov-Kimball model on an infinite-coordination-number Bethe lattice. We perform numerical calculations of the thermoelectric characteristics and concentrate on finding materials parameters for which…
Thermoelectric effects enable the direct conversion between thermal and electrical energy and provide an alternative route for power generation and refrigeration. The clathrate Ba8Ga16Ge30 has the highest figure of merit (ZT ~ 1) among…
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 reliable calculation of electronic structures and understanding of electrical properties depends on an accurate model of the crystal structure. Here, we have reinvestigated the crystal structure of the high-zT thermoelectric material…
In the quest of new thermoelectric (TE) materials with high power factors, full-Heusler compounds having flat band are found to be promising candidates. In this direction, Fe$_{2}$ScX (X=P,As,Sb) compounds are investigated using mBJ for the…
Whereas thermoelectric performance is normally limited by the figure of merit ZT, transverse thermoelectrics can achieve arbitrarily large temperature differences in a single leg even with inferior ZT by being geometrically tapered. We…
Using first-principles electronic structure calculations, we studied the electronic and thermoelectric properties of SrTiO3 based oxide materials and their nanostructures identifying those nanostructures which possess highly anisotropic…
We assess the impact of the scattering physics assumptions on the thermoelectric properties of five Co-based p-type half-Heusler alloys by considering full energy-dependent scattering times, versus the commonly employed constant scattering…
Investigating in detail the physics of energy filtering through a single planar energy barrier in nanostructured thermoelectric generators, we reinforce the non-trivial result that the anticipated enhancement in generated power at a given…
The electronic structures and thermoelectric properties of $\mathrm{Cs_2[PdCl_4]I_2}$ are investigated by the first-principles calculations and semiclassical Boltzmann transport theory. Both electron and phonon transport are considered to…
This study presents a curated thermoelectric material database, teMatDb, constructed by digitizing literature-reported data. It includes temperature-dependent thermoelectric properties (TEPs), Seebeck coefficient, electrical resistivity,…
The thermoelectric effects in semiconducting single-walled carbon nanotubes (SWCNTs) are investigated based on the linear response theory combined with the thermal Green's function method. It is shown that the electronic states near the…
We analyze the diffraction characteristics of dielectric gratings that feature a high index grating layer, and devise, through rigorous numerical calculations, large bandwidth, highly efficient, high dispersion dielectric gratings in…
Thermoelectric measurement of the dimensionless zT parameter requires multiple physical quantities to be measured, therefore there is great interest to find an experimental setup capable of measuring all these properties at once. Previous…
We describe a semi-empirical atomic basis Extended H\"uckel Theoretical (EHT) technique that can be used to calculate bulk bandstructure, surface density of states, electronic transmission and interfacial chemistry of various materials…
The electronic structure and thermoelectric properties of ZrRuTe-based Half-Heusler compounds are studied using density functional theory (DFT) and Boltzmann transport formalism. Based on rigorous computations of electron relaxation time…
Spintronic ferromagnetic/non-magnetic heterostructures are novel sources for the generation of THz radiation based on spin-to-charge conversion in the layers. The key technological and scientific challenge of THz spintronic emitters is to…
We employ dynamical mean-field theory to identify the materials properties that optimize Tc for a generalized double-exchange (DE) model. We reach the surprising conclusion that Tc achieves a maximum when the band angular momentum j equals…