Related papers: Theoretical search for Chevrel phase based thermoe…
SiAlON is a prominent example of systems suitable as hosts for creating materials for light-emitting diodes (LEDs). In this work, the electronic structure of a series of semiordered and disordered SiAlON systems is investigated by means of…
Having been extensively studied during last decades in the fields of thermoelectics and ionic conductors, the $\alpha $ phase of Cu$_{2}$Se with antfluoride crystal structure has recently emerged as a topological zero-gap semimetal with a…
We investigate linear and nonlinear transverse planar transport phenomena (viz. linear and nonlinear Hall and Nernst coefficients) induced by chiral anomaly in three-dimensional spin-orbit coupled metallic systems. Unlike Weyl semimetals,…
We study the properties of the surface states in three-dimensional topological insulators in the presence of a ferromagnetic exchange field. We demonstrate that for layered materials like Bi$_2$Se$_3$ the surface states on the top surface…
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…
Knowing the electronic structure of a material is essential in energy applications to rationalize its performance and propose alternatives. Materials for thermoelectric applications are generally small-gap semiconductors and should have a…
We present a model which can explain semiquantitatively a number of the unusual properties of \mbox{Yb$_4$As$_3$}. The structural phase transition at $T_{\text{c}}\simeq300\,\mbox{K}$ is described by a band Jahn-Teller effect of correlated…
The electrical, thermal conductivity and Seebeck coefficient of the quenched, annealed and slowly cooled phases of the layer compound CuCrS2 have been reported between 15K to 300K. We also confirm the antiferromagnetic transition at 40K in…
Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Novel pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh…
Two-dimensional (2D) materials may exhibit intriguing band structure features (e.g., Dirac points), that lay far away from the Fermi level. They are, thus, not usable in applications. The semiconducting 2D material PC6 has two Dirac cones…
The discovery of topological semimetals with multifold band crossings has opened up a new and exciting frontier in the field of topological physics. These materials exhibit large Chern numbers, leading to long double Fermi arcs on their…
Thermoelectric power, electrical conductivity, and high field Hall effect were studied over a broad temperature range in ferromagnetic Ga(1-x)Mn(x)As epitaxial layers (0.015<x<0.06). Thermoelectric power analysis gives the information about…
The structural and electronic properties of the clathrate compounds Ba$_{8}$Al$_{x}$Si$_{46-x}$ and Sr$_{8}$Al$_{x}$Si$_{46-x}$ are studied from first principles, considering an Al content $x$ between 6 and 16. Due to the large number of…
Despite the tremendous interest raised by the recent realization of magnetic Weyl semimetals and the observation of giant anomalous Hall signals, most of the theories used to interpret experimental data overlook the influence of magnetic…
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the…
Weyl semimetals are gapless quasi-topological materials with a set of isolated nodal points forming their Fermi surface. They manifest their quasi-topological character in a series of topological electromagnetic responses including the…
We show that the semi-classical model of conduction breaks down if the mean free path of charge carriers is smaller than a typical extension of their wavefunction. This situation is realized for sufficiently slow charge carriers and leads…
The search for semiconductors with high thermoelectric figure of merit has been greatly aided by theoretical modeling of electron and phonon transport, both in bulk materials and in nanocomposites. Recent experiments have studied…
We investigate the quasi-particle and transport properties of a model describing interacting Dirac and Weyl semimetals in the presence of local Hubbard repulsion $U$, where we explicitly include a deviation from the linearity of the…
The electronic structure of the high-Tc cuprates is studied in terms of "large-U" and "small-U" orbitals. A striped structure and three types of quasiparticles are obtained, polaron-like "stripons" carrying charge, "svivons" carrying spin,…