Related papers: Theoretical search for Chevrel phase based thermoe…
In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds based in the combination of the transition-metals (Ti, Zr,…
Thermoelectric (TE) materials are useful for applications such as waste heat harvesting or efficient and targeted cooling. While various strategies towards superior thermoelectrics through a reduction of the lattice thermal conductivity…
In our short review, we consider the transport properties of strongly correlated Fermi systems like heavy fermion metals and high-$T_c$ superconductors. Their transport properties are defined by strong inter-particle interaction forming…
We study the effect that the ferromagnetic order has on the electrical properties of Diluted Magnetic Semiconductors. We analyze the temperature dependence of the dielectric constant and of the resistivity of Ga$_{1-x}$Mn$_x$As. In our…
To achieve room-temperature superconductivity, a mechanism is needed that provides heavy quasiparticles at room temperature. In heavy fermion systems such localization is prototypically present only at liquid helium temperatures. In these…
For analyzing quantum transport in semiconductor devices, accurate electronic structures are critical for quantitative predictions. Here we report theoretical analysis of electronic structures of all III-V zinc-blende semiconductor…
We investigated the pressure evolution of the electrical transport in the almost compensated Weyl semimetal TaP. In addition, we obtained information on the modifications of the Fermi-surface topology with pressure from the analysis of…
Based on our experimental and theoretical studies, we report the identification of the quaternary Heusler alloy, CoRuVSi as a new member of the recently discovered spin semimetals class. Spin polarised semimetals possess a unique band…
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 a superconductor electrons form pairs and electric transport becomes dissipation-less at low temperatures. Recently discovered iron based superconductors have the highest superconducting transition temperature next to copper oxides. In…
We present a theoretical survey of ferromagnetic transition temperatures in cubic (III,Mn)V semiconductors based on a model with $S=5/2$ local moments exchange-coupled to itinerant holes in the host semiconductor valence band. Starting from…
We investigated the thermoelectric transport properties of EuNi2P2 and EuIr2Si2 in order to evaluate the relevance of Kondo interaction and valence fluctuations in these materials. While the thermal conductivities behave conventionally, the…
The Seebeck effect describes the generation of an electric potential in a conducting solid exposed to a temperature gradient. Besides fundamental relevance in solid state physics, it serves as a key quantity to determine the performance of…
We explore the stability of three-dimensional Weyl and Dirac semimetals subject to quasiperiodic potentials. We present numerical evidence that the semimetal is stable for weak quasiperiodic potentials, despite being unstable for weak…
We calculate the transport properties of three-dimensional Weyl fermions in a disordered environment. The resulting conductivity depends only on the Fermi energy and the scattering rate. First we study the conductivity at the spectral node…
In a recent paper [R. Soto-Garrido and E. Mu\~noz, J. Phys. Condens. Matter 30, 195302 (2018)], we studied the electronic transport properties in Weyl semimetals (WSMs) submitted to the combined effects of torsional mechanical strain and…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
The thermoelectric effect is the generation of an electrical voltage from a temperature gradient in a solid material due to the diffusion of free charge carriers from hot to cold. Identifying materials with large thermoelectric response is…
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}…
Quasicrystals can be considered, from the point of view of their electronic properties, as being intermediate between metals and insulators. For example, experiments show that quasicrystalline alloys such as AlCuFe or AlPdMn have…