Related papers: Theoretical search for Chevrel phase based thermoe…
A new approach to thermoelectric phenomena, as a linear transport process of non-equilibrium charge carriers, is presented. The role of non-equilibrium carriers, as well as surface and bulk recombination, is demonstrated to be crucial even…
The last decade has witnessed great advancements in the science and engineering of systems with unconventional band structures, seeded by studies of graphene and topological insulators. While the band structure of graphene simulates…
For the solid state physics, recent interest to topological systems is mostly connected with topological semimetals, in particular, to Weyl ones as the most representative semimetal type. Like other topological materials, e.g. topological…
The electronic and magnetic bulk properties of half-metallic Heusler alloys such as Co$_{2}$FeSi, Co$_{2}$FeAl, Co$_{2}$MnSi and Co$_{2}$MnAl are investigated by means of {\em ab initio} calculations in combination with Monte Carlo…
EuAl$_4$ is proposed to host a topological Hall state. This material also undergoes four consecutive antiferromagnetic (AFM) transitions upon cooling below TN1 = 15.4 K in the presence of charge density wave (CDW) order that sets in below…
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…
For a material that is a half-metal, there should exist a range of compositions for half-metallicity. This compositional range can be expressed in terms of electron count and computed. We investigate electronic and magnetic properties of…
Dirac/Weyl semimetals hosting linearly-dispersing bands have received recent attention for potential thermoelectric applications, since their ultrahigh-mobility carriers could generate large thermoelectric and Nernst power factors. To…
We study the electronic contribution to the thermal conductivity and the thermopower of Weyl and Dirac semimetals using a semiclassical Boltzmann approach. We investigate the effect of various relaxation processes including disorder and…
A variety of compounds, for example doped paraelectrics and polar metals, exhibit both ferroelectricity and correlated electronic phenomena such as low-density superconductivity and anomalous transport. Characterizing such properties is…
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…
Within 4 different crystal structures, 2280 ternary intermetallic configurations have been investigated via high-throughput density functional theory calculations in order to discover new semiconducting materials. The screening is…
Heusler compounds have emerged as important thermoelectric materials due to their combination of promising electronic transport properties, mechanical robustness and chemical stability -- key aspects for practical device integration. While…
Van der Waals heterostructures have recently emerged as an exciting platform for investigating the effects of strong electronic correlations, including various forms of magnetic or electrical orders. Here, we perform an unbiased exact…
I present a theory of electron dynamics in semiconductors with slowly varying composition. I show that the frequency-dependent conductivity, required for the description of transport and optical properties, can be obtained from a knowledge…
In this review we discuss a wide range of topological properties of electron quasiparticles in Dirac and Weyl semimetals. Their nontrivial topology is quantified by a monopole-like Berry curvature in the vicinity of Weyl nodes, as well as…
Topological semimetals are systems in which the conduction and the valence bands cross each other and this crossing is protected by topological constraints. These materials provide an intriguing test of fundamental theory and their…
Thermoelectrical properties are frequently used to characterize the materials and endow the free energy from wasted heat for useful purposes. Here, we show that linear thermoelectric effects in tunnel junctions with Fe-based…
Several models of the electronic spectrum in the pseudogap state of underdoped cuprates have been proposed to explain ARPES and STM measurements, which reveal only truncated Fermi pockets instead of a full metallic Fermi surface. We…
Dirac semi-metals show a linear electronic dispersion in three dimension described by two copies of the Weyl equation, a theoretical description of massless relativistic fermions. At the surface of a crystal, the breakdown of fermion…