Related papers: CuAlTe$_2$: A promising bulk thermoelectric materi…
The holographic duality allows to construct and study models of strongly coupled quantum matter via dual gravitational theories. In general such models are characterized by the absence of quasiparticles, hydrodynamic behavior and Planckian…
Thermoelectric technology is an alternate way to efficiently utilize the energy by converting waste heat into electricity. Thermoelectric requires material with low thermal conductivity to improves its thermoelectric performance. In this…
The copper silver selenide has two phases: the low-temperature semimetal phase ({\alpha}-CuAgSe) and high-temperature phonon-glass superionic phase (\b{eta}-CuAgSe). In this work, the electric transport and thermoelectric properties of the…
We investigate optimal band structures in band-converged systems to achieve high zT using numerical calculations based on a virtual spectral conductivity model. We consider a two parabolic band system, in which multiple band parameters can…
Structural, electronic, and transport properties of ScNiSb, ScPdSb, and ScPtSb were investigated from first principles. Electronic band structures derived within the fully relativistic MBJLDA approach were compared with those obtained from…
We have combined the Boltzmann transport equation with an {\it ab initio} approach to compute the thermoelectric coefficients of semiconductors. Electron-phonon, ionized impurity, and electron-plasmon scattering rates have been taken into…
We report coexistence of bulk superconductivity and charge density wave (CDW) with superconducting critical temperature Tc = 3.8 K in Cu intercalated quasi-two-dimensional crystals of ZrTe3. The Cu intercalation results in the expansion of…
Van der Waals layered chalcogenide-based flexible thermoelectric devices show great potential for applications in wearable electronics. However, materials that are both highly deformable and exhibit superior thermoelectric performance are…
Th$_3$Te$_4$ materials are potential candidates for commercial thermoelectric (TE) materials at high-temperature due to their superior physical properties. We incorporate the multiband Boltzmann transport equations with firstprinciples…
Using electronic structure calculations based on density functional theory, we predict and study the structural, mechanical, electronic, magnetic and transport properties of a new full Heusler chalcogenide, namely, Fe$_2$CrTe, both in bulk…
Here, we have investigated the thermoelectric properties of FeMnScGa alloy by combined use of full potential linearized augmented plane-wave (FP-LAPW) method and Boltzmann transport theory implemented in Wien2K and BoltzTraP code,…
Cuprate superconductors have attracted extensive attention due to high critical temperatures. Conventional cuprates typically contain perfect CuO$_2$ planes which are considered as a key factor to superconductivity since the…
We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional (2D) transition metal dichalcogenide (TMDC) WS2 based on the experimentally prepared WS2/WSe2 lateral superlattice (LS) crystal. On the…
Dynamical properties of materials determined using force constant expansions in the HIPHIVE package and density functional theory as implemented in the Gpaw code. Thermal conductivity of alkaline earth tellurides was determined, and the…
Influence of composition and external hydrostatic pressure on the structural, electronic, and optical properties of the CuGa1-xAlxS2 (x=0, 0.25, 0.5, 0.75, 1.0) chalcopyrite semiconductor was analyzed by means of the first-principles…
We present the full thermoelectric characterization of nanostructured bulk PbTe and PbTe-PbSe samples fabricated from colloidal core-shell nanoparticles followed by spark plasma sintering. An unusually large thermopower is found in both…
Using first-principles density-functional theory calculations, we predict the potential for unprecedented thermoelectric efficiency $zT=5$ at 800 K in $n$-type Ba$_{2}$BiAu full-Heusler compound. Such a high efficiency arises from an…
Although new photovoltaic materials, such as organic perovskites, have attracted much attention recently,\cite{perov1,perov2,perov3} zinc-blende semiconductors still play an important role, owing to their high efficiency and stability in…
Thermoelectric transport of two-dimensional quantum spin Hall systems are theoretically studied in narrow ribbon geometry. We find that at high temperature electrons in the bulk states dominate. By lowering temperature, the "perfectly…
Low-dimensional materials, in which the electronic and transport properties are drastically modified in comparison to those of three-dimensional bulk materials, yield a key class of thermoelectric materials with high conversion efficiency.…