Related papers: Common errors in BoltzTraP-based calculations
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…
Electronic and thermoelectric transport in zigzag monolayer WSe$_2$ nanoribbons are studied under monochromatic irradiation. The electronic structure is described within a six-orbital tight-binding framework constructed from the relevant…
Low band gap thermoelectric materials suffer from bipolar effects at high temperatures, with increased electronic thermal conductivity and reduced Seebeck coefficient, leading to reduced power factor and low ZT figure of merit. In this work…
Organic semiconductors have attracted increasing interest as thermoelectric converters in recent years due to their intrinsically low thermal conductivity compared to inorganic materials. This boom has led to encouraging practical results,…
We present a new method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$) in materials, informed by ${ab\,initio}$ material property simulations. Using the Boltzmann transport equation in a Self-Adjoint Angular Flux…
The presence of nuclear pasta is expected to modify the transport properties in the mantle of neutron stars. The non-spherical geometry of the pasta nuclear clusters leads to anisotropies in the collision frequencies, impacting the thermal…
There are many exotic scenarios where the Lorenz number of the Wiedemann-Franz law is known to deviate from expected values. However, in conventional semiconductor systems, it is assumed to vary between the values of ~1.49x10^{-8} W…
The thermal conductivity $\kappa$ of underdoped \Y was measured in the $T \to 0$ limit as a function of hole concentration $p$ across the superconducting critical point at $p_{SC}$ = 5.0%. ``Time doping'' was used to resolve the evolution…
Developing simplified, but accurate, theoretical approaches to treat heat transport on all length and time scales is needed to further enable scientific insight and technology innovation. Using a simplified form of the Boltzmann transport…
We investigate the low-temperature electrical and thermal transport properties in atomically precise metallic heterostructures involving strongly-correlated electron systems. The model of the Mott-insulator/ band-insulator superlattice was…
The Wiedemann-Franz (WF) law, relating the electronic thermal conductivity ($\kappa_{\rm e}$) to the electrical conductivity, is vital in numerous applications such as in the design of thermoelectric materials and in the experimental…
Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE)…
We perform an ab initio computational investigation of the electronic and thermoelectric transport properties of one of the best performance half-Heusler (HH) alloys, NbFeSb. We use Boltzmann Transport equation while taking into account the…
We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the non-availability of high-quality thermal conductivity data, we…
Measurements of low temperature transport and thermodynamic properties have been used to characterize the non-Fermi liquid state of the itinerant ferromagnet ZrZn$_2$. We observe a $T^{5/3}$ temperature dependence of the electrical…
Diminution of the thermal conductivity is a crucial aspect in thermoelectric research. We report a systematic and significant reduction of the cross-plane thermal conductivity in a model system consisting of DC sputtered TiNiSn and HfNiSn…
We consider the effect of electron-electron interaction on the electron transport through a finite length single-mode quantum wire with reflectionless contacts. The two-particle scattering events cannot alter the electric current and…
A quantum critical point (QCP) arises at a continuous transition between competing phases at zero temperature. Collective excitations at magnetic QCPs give rise to metallic properties that strongly deviate from the expectations of Landau's…
Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials at high temperatures due to the reduction in the Seebeck coefficient and the introduction of an additional term to the thermal…
Topological semimetal may have substantial applications in electronics, spintronics and quantum computation. Recently, ZrTe is predicted as a new type of topological semimetal due to coexistence of Weyl fermion and massless triply…