Related papers: Electronic structure and thermoelectric properties…
Although the band topology of ZrGeSe has been studied via magnetic torque technique, the electronic transport behaviors related to the relativistic Fermions in ZrGeSe are still unknown. Here, we first report systematic electronic transport…
Materials with reduced dimensionality offer beneficial density-of-states (DOS) profiles for thermoelectric energy conversion, but can be impractical in realistic devices. Encouragingly, bulk high-symmetry materials can also exhibit similar…
The electronic structures and topological properties of transition metal dipnictides $XPn_2$ ($X$=Ta, Nb; $Pn$=P, As, Sb) have been systematically studied using first-principles calculations. In addition to small bulk Fermi surfaces, the…
Since there is both strong electron-phonon coupling during a ferroelectric/FE transition and superconducting/SC transition, it has been an important topic to explore superconductivity from the FE instability. Sn$_2$P$_2$Se$_6$ arouses broad…
By means of first-principles calculations, we explore systematically the geometric, electronic and piezoelectric properties of multilayer SnSe. We find that these properties are layer-dependent, indicating that the interlayer interaction…
We have studied the electronic structure and charge-carrier dynamics of individual single-wall carbon nanotubes (SWNTs) and nanotube ropes using optical and electron-spectroscopic techniques. The electronic structure of semiconducting SWNTs…
Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelectric material BiCuSeO. By choosing proper hybrid functional…
Over the last two decades a plethora of new thermoelectric materials, their alloys, and their nanostructures were synthesized. The ZT figure of merit, which quantifies the thermoelectric efficiency of these materials increased from values…
The presence of nuclear pasta is expected to modify the transport properties in the mantle of neutron stars. The non-spherical geometry of the pasta nuclear clusters leads to anisotropies in the collision frequencies, impacting the thermal…
To gain insight into the peculiar temperature dependence of the thermoelectric material SnSe, we employ many-body perturbation theory and explore the influence of the electron-phonon interaction on its electronic and transport properties.…
The two-dimensional electron system in (110)Al$_2$O$_{3-\delta}$/SrTiO$_3$ heterostructures displays anisotropic electronic transport. Largest and lowest conductivity and electron mobility $\mu$ are observed along the $[001]$ and…
The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional theory using hybrid functionals facilitated by the $\mathbf{k}…
We explore the structural, electronic, mechanical and thermoelectric properties of a new half Heusler compound, HfPtPb which is all metallic heavy element and has been recently been proposed to be stable [Nature Chem 7 (2015) 308]. In the…
The mechanism of high temperature superconductivity in the iron-based superconductors remains an outstanding issue in condensed matter physics. The electronic structure, in particular the Fermi surface topology, is considered to play an…
Thermal conductivity measurements can provide key and experimentally verifiable insight into the electronic transport of unconventional superconductors. In this work, electronic thermal transport of two-dimensional tight-binding metallic…
Recently, we reported [M. Wagner et al., J. Mater. Res. 26, 1886 (2011)] transport measurements on the semiconducting intermetallic system RuIn3 and its substitution derivatives RuIn_{3-x}A_{x} (A = Sn, Zn). Higher values of the…
Layered Zintl compounds exhibit significant tunability of thermoelectric (TE) parameters facilitated by their multiple elemental combinations and flexibility in stacking order within the layers. In this work, the effect of stacking order on…
Materials with axis-dependent conduction polarity are known as $p\times n$-type or goniopolar conductors that can be used for transverse thermoelectric devices, allowing the longitudinal thermal current to be converted into the transverse…
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…
Iron-chalcogenide single crystals with the nominal composition FeSe$_{0.5}$Te$_{0.5}$ and a transition temperature of $T_{c}\simeq14.6$ K were synthesized by the Bridgman method. The structural and anisotropic superconducting properties of…