Related papers: Understanding the transport behaviour of PbSe: A c…

We have investigated the specific heat of optimally-doped iron chalcogenide superconductor Fe(Te0.57Se0.43) with a high-quality single crystal sample. The electronic specific heat Ce of this sample has been successfully separated from the…

We investigate the electronic structure of FeTe(0.6)Se(0.4) employing high resolution photoemission spectroscopy and ab initio band structure calculations. Fe 2p core level and the valence band spectra exhibit signature of strong electron…

The thermoelectric properties of halide perovskites $\mathrm{CsMI_3}$ (M=Sn and Pb) are investigated from a combination of first-principles calculations and semiclassical Boltzmann transport theory by considering both the electron and…

We present here the thermoelectric properties of olivine-type Fe2GeCh4 (Ch = S, Se and Te) using the linear augmented plane wave method based on first principles density functional calculations. The calculated transport properties using the…

In this paper, we have performed first principles calculations to study optoelectronic, thermodynamic and transport properties of Fe2TiGe using density functional theory (DFT). The semi-classical Boltzmann transport theory is used to…

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 investigate the electronic properties and the superconducting gap characteristics of a single crystal of hole-doped 122 Fe-pnictide Ba$_{0.65}$Na$_{0.35}$Fe$_2$As$_2$ by means of specific heat measurements. The specific heat exhibits a…

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…

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…

We have investigated the systematic transport properties of the layered 112-type cobaltite LaBaCo2O5.5 by means of electrical resistivity, magnetoresistance, electroresistance and thermoelectric measurements in various conditions. In order…

In this work, we try to understand the experimental thermoelectric (TE) properties of a ZrNiSn sample with DFT and semiclassical transport calculations using SCAN functional. SCAN and mBJ provide the same band gap $E_{g}$ of $\sim$0.54 eV.…

The superconducting order parameter in the iron-chalcogenide superconductor FeTe$_{0.55}$Se$_{0.45}$ ($T_\textrm{c}$ = 14.2 K) is investigated by point-contact Andreev reflection spectroscopy. The energy gap magnitude (3.8 meV at 1.70 K)…

$\beta$-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 ($\rho$($T$)).…

Hafnium orthosilicate (HfSiO4: hafnon) has been proposed as an environmental barrier coating (EBC) material to protect silicon coated, silicon-based ceramic materials at high temperatures and as a candidate dielectric material in…

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…

Here, we have studied the temperature dependent Seebeck coefficient (S) of the NaCo$_2$O$_4$ (NCO) by using experimental and computational methods. The range of experimentally obtained S is $\sim$55 to 103 $\mu$V/K in the temperature range…

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…

Here, we present a theoretical study in the context of photovoltaic (PV) and thermoelectric (TE) applications of ScAgC. The electronic, optical, and thermoelectric properties have been investigated systematically using density functional…

The in-plane complex optical properties of the iron-chalcogenide superconductor FeTe0.55Se0.45 have been determined above and below the critical temperature Tc = 14 K. At room temperature the conductivity is described by a…

High-temperature superconductivity in iron-based layered compounds discovered by Hosono group (Kamihara et al 2006 J. Am. Chem. Soc. 128 10012) is fascinating physical phenomenon which still has many unanswered questions. One of these…