Related papers: Realizing Thermoelectric and Thermistor Bi-functio…
Efficient thermoelectric materials should present large Seebeck coefficient, high electrical conductivity and low thermal conductivity. An enhanced Seebeck coefficient can be obtained from materials where the Fermi level can be aligned with…
We derive diffusion equations, which describe spin-charge coupled transport on the helical metal surface of a three-dimensional topological insulator. The main feature of these equations is a large magnitude of the spin-charge coupling,…
There is evidence that magnetism can potentially increase the thermopower of materials, most likely due to magnon scattering, suggesting the incorporation of intrinsic magnetic semiconductors in non-magnetic thermoelectric materials. Here,…
The lattice thermal conductivity of the candidate thermoelectric material Mg$_3$Sb$_2$ is studied from first principles, with the inclusion of anharmonic, isotope, and boundary scattering processes, and via an accurate solution of the…
Thermoelectric materials enables the harvest of waste heat and directly conversion into electricity. In search of high efficient thermoelectric materials, low thermal conductivity of a material is essential and critical. Here, we have…
We present a detailed study of the charge transport, optical reflectivity, and thermal transport properties of n-type PbSe crystals. A strong scattering, mobility-limiting mechanism was revealed to be at play at temperatures above 500 K.…
Thermoelectrics (TE) materials manifest themselves in direct conversion of temperature differences to electric power and vice versa. Despite remarkable advances have been achieved in the past decades for various TE systems, the energy…
The anisotropic thermoelectric transport properties of bulk silicon strained in [111]-direction were studied by detailed first-principles calculations focussing on a possible enhancement of the power factor. Electron as well as hole doping…
We examined the electrical transport properties of densified LaOBiS2-xSex, which constitutes a new family of thermoelectric materials. The power factor increased with increasing concentration of Se, i.e., Se substitution led to an enhanced…
Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…
A caloritronic device setup is proposed that harnesses the intrinsic spin-valley locking of two-dimensional honeycomb lattices with graphene-like valleys, for instance, silicene and stanene. Combining first-principles and analytic…
Thermoelectric (TE) devices have been attracting increasing attention because of their ability to convert heat directly to electricity. To date, improving the TE figure of merit remains the key challenge. The advent of the topological…
We compute the thermoelectric and thermal transport in the weakly disordered non-Fermi liquid phase of the Luttinger semimetals at zero doping, where the decay rate associated with the (strong) Coulomb interactions is much larger than the…
We present a combined treatment of the non-equilibrium dynamics and transport of electrons and phonons by carrying out \textit{ab initio} calculations of the fully coupled electron and phonon Boltzmann transport equations. We find that the…
Symmetry-breaking is pivotal for controlling ferroelectric, ferroelastic and/or ferromagnetic functions of materials, which enables applications in sensors, memories, transducers or actuators. Commonly, ferroic phases emerge from descending…
The phenomenon of negative thermal expansion (NTE) deals with the increase of the lattice parameters and the volume of the unit cell when the material is thermally cooled. The NTE is typically associated with thermal phonons and anomalous…
It is believed that nanostructuring is an effective way to achieve excellent thermoelectric performance. In the work, by combining the first-principles calculations and semiclassical Boltzmann transport theory, we investigate the…
We have studied the enhancement of the superconducting transition temperature, Tc, in a t-J-U model of electrons moving on a square lattice in which anisotropic electronic hopping is introduced. The inclusion of such hopping mimics, in a…
We propose a scheme of multilayer thermoelectric engine where {\em one} electric current is coupled to {\em two} temperature gradients in three-terminal geometry. This is realized by resonant tunneling through quantum dots embedded in two…
We study the electronic transport coefficients and the thermoelectric figure of merit ZT in $n$-doped Mg$_3$Sb$_2$ based on density-functional electronic structure and Bloch-Boltzmann transport theory with an energy- and…