Related papers: Shallow impurity band in ZrNiSn
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 thermoelectric properties of PbSe have significantly improved in recent years reaching figures of merit ZT 1.6. The transport properties of the hole doped high temperature thermoelectric material PbSe are particularly interesting and…
Nernst effect, a transverse electric current induced by a temperature gradient, is a promising tool for revealing emergent phases of condensed matter. We find a Nernst coefficient plateau in low carrier density topological insulators, as a…
The thermoelectric properties of distorted bismuth (110) layer are investigated using first-principles calculations combined with the Boltzmann transport equation for both electrons and phonons. To accurately predict the electronic and…
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…
Zn and Ni impurities in the hole-doped high-temperature superconductors are known to have strong effects on thermodynamic and transport properties. A recent scanning tunneling microscope study of Zn-doped Bi2212 (Pan et al., Nature 403, 746…
We generalize a previously established ab initio approach-originally developed for hexagonal close-packed (hcp) metals-to accommodate solids with both internal and external degrees of freedom. This extension enables the thermodynamic and…
In this first-principles study, we investigated the thermoelectric properties of the full-Heusler compound CsK$_2$Sb at different compressive strains. This material exhibits a valence band structure with significant effective mass…
The thermodynamics of the antiferromagnetic ordering transition in NiO and the photoelectron spectra in the antiferromagnetic phase are studied by the Variational Cluster Approximation. Using realistic Racah parameters to describe the…
We investigate thermoelectric (TE) properties of two-dimensional materials possessing two Dirac bands (a Dirac band) and a nonlinear band within the three-(two-)band model using linearized Boltzmann transport theory and relaxation time…
Motivated by the experimental measurement of electrical and hall conductivity, thermopower and Nernst effect, we calculate the longitudinal and transverse electrical and heat transport in graphene in the presence of unitary scatterers as…
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…
Nanostructuring has spurred a revival in the field of direct thermoelectric energy conversion. Nanograined materials can now be synthesized with higher figures of merit (ZT) than the bulk counterparts. This leads to increased conversion…
A recently developed formula for the Hall coefficient [A. Auerbach, Phys. Rev. Lett. 121, 66601 (2018)] is applied to nodal line and Weyl semimetals (including graphene), and to spin-orbit split semiconductor bands in two and three…
We report a combined theoretical and experimental search for thermoelectric materials based on semiconducting zinc antimony. Influence of three new doping elements (sodium, potassium and boron) on the electronic properties is investigated…
The Nernst effect, a transverse thermoelectric phenomenon, has attracted significant attention for its potential in energy conversion, thermoelectrics, and spintronics. However, achieving high performance and versatility at low temperatures…
First principles calculations of the vibrational, thermodynamic and mechanical properties of the Ni-Ti-Sn Heusler and half-Heusler compounds have been performed. First, we have calculated the Raman and infrared spectra of NiTiSn, providing…
We study the properties of the impurity band in heavily-doped non-magnetic semiconductors using the Jacobi-Davidson algorithm and the supervised deep learning method. The disorder averaged inverse participation ratio (IPR) and thouless…
We investigate anomalous planar transport phenomena in a recently identified class of collinear magnetic materials known as $d$-wave altermagnets. The anomalous planar effects manifest in a configuration when the applied electric…
Eu$_5$In$_2$Sb$_6$ is an orthorhombic non-symmorphic small band gap semiconductor with three distinct Eu$^{2+}$ sites and two low-temperature magnetic phase transitions. The material displays one of the greatest (negative)…