Related papers: Electronic structure and thermoelectric properties…
Last few years have witnessed significant enhancement of thermoelectric figure of merit of lead telluride (PbTe) via nanostructuring. Despite the experimental progress, current understanding of the electron transport in PbTe is based on…
We systematically study the effect of high pressure on the structure, electronic structure and transport properties of 2H-MoS$_2$, based on first-principles density functional calculations and the Boltzmann transport theory. Our calculation…
We report a fully {\it ab-initio} calculation of the temperature dependence of the electronic band structure of PbTe. We address two main features relevant for the thermoelectric figure of merit: the temperature variations of the direct gap…
We investigate electronic structures and thermoelectric properties of recent synthetic half-Heusler $\mathrm{ZrNiPb}$ by using generalized gradient approximation (GGA) and GGA plus spin-orbit coupling (GGA+SOC). Calculated results show that…
We perform an in-plane optical spectroscopy measurement on high quality FeSe single crystals grown by a vapor transport technique. Below the structural transition at $T_{\rm s}\sim$90 K, the reflectivity spectrum clearly shows a gradual…
By combining $n$-type $\mathrm{Bi_2Te_3}$ and $p$-type $\mathrm{Sb_2Te_3}$ topological insulators, vertically stacked $p$-$n$ junctions can be formed, allowing to position the Fermi level into the bulk band gap and also tune between $n$-…
Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in thermal management applications. However, finding highly…
The record-breaking thermoelectric performance of tin selenide (SnSe) has motivated the investigation of analogue compounds with the same structure. A promising candidate that emerged recently is germanium selenide (GeSe). Here, using…
We report calculations of the electronic structure, vibrational properties and transport for the p-type semiconductors, SrAg$Ch$F ($Ch$=S, Se and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes…
An ab-initio pseudopotential calculation using density functional theory within the local density approximation has been performed to investigate the electronic properties of TlSe which is of chain-like crystal geometry. The energy bands…
Recent advances in two-dimensional (2D) crystals make it possible to realize an ideal interface structure that is required for device applications. Specifically, a p-n junction made of 2D crystals is predicted to exhibit an atomically…
Pb$_{0.77}$Sn$_{0.23}$Se is a novel alloy of two promising thermoelectric materials PbSe and SnSe that exhibits a temperature dependent band inversion below 300 K. Recent work has shown that this band inversion also coincides with a trivial…
We study the relationship between the shape of the electronic band structure and the thermoelectric properties. In order to study the band shape dependence of the thermoelectric properties generally, we first adopt models with band…
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…
This article is a review o over theory of superconductivity, which is constructed for systems with two overlapping energy bands at the Fermi surface and with arbitrary charge carrier density.There is taken into account all possible kinds of…
We theoretically investigate the thermoelectric properties of semiconducting (gapped) materials by varying the degrees of polynomials in their energy dispersion relations, in which either the valence or conduction energy dispersion depends…
Different two-dimensional materials, when combined together to form heterostructures, can exhibit exciting properties that do not exist in individual components. Therefore, intensive research efforts have been devoted to their fabrication…
We performed high-pressure transport measurements on high-quality single crystals of KOs2O6, a beta-pyrochlore superconductor. While the resistivity at high temperatures might approach saturation, there is no sign of saturation at low…
We have investigated the electronic and thermoelectric properties of half-Heusler alloys NiTZ (T = Sc, and Ti; Z = P, As, Sn, and Sb) having 18 valence electron. Calculations are performed by means of density functional theory and Boltzmann…
While recent experiments confirm the existence of hundreds of topological electronic materials, only a few exhibit the coexistence of superconductivity and a topological electronic state. These compounds attract significant attention in…