Related papers: Superdiffusive heat conduction in semiconductor al…
We compute the transient dynamics of phonons in contact with high energy "hot" charge carriers in 12 polar and non-polar semiconductors, using a first-principles Boltzmann transport framework. For most materials, we find that the decay in…
Controlling heat flow at the nanoscales is pivotal to several applications, including thermal energy harvesting and heat management. However, engineering nanostructures is challenging because phonon-boundary interaction, not contemplated by…
Recent experiments demonstrate a "robust superconductivity phenomenon" in niobium-based alloys, where the superconducting state remains intact and the critical temperature ($T_c$) is largely unaffected by external pressure well above tens…
We thoroughly investigate the microscopic mechanisms of the thermal transport in orthorhombic \textit{o}-CsCu$_5$S$_3$ by integrating the first-principles-based self-consistent phonon calculations (SCP) with the linearized Wigner transport…
The superconducting transition in High Temperature Superconductors(HTS) has not been understood. Traditional Bose Einstein Condensation(BEC) theory provides Tc estimates that are many times higher than the experimental values. The proposed…
The phonon contribution to the thermal conductivity at low temperature in superconductors with line nodes is calculated assuming that scattering by both nodal quasiparticles and the sample boundaries is significant. It is determined that,…
In this study, we systematically investigate the thermal and electronic transport properties of two-dimensional PbSe/PbTe monolayer heterostructure by combining first-principles calculations, Boltzmann transport theory, and machine learning…
$\alpha$-(BEDT-TTF)$_2$I$_3$ is a prominent example of charge ordering among organic conductors. In this work we explore the details of transport within the charge-ordered as well as semimetallic phase at ambient pressure. In the…
This work presents a comprehensive investigation of the HH alloy NaVAs using first - principles methods, emphasizing its potential applications in various fields, including spintronics, thermoelectrics, and optoelectronics. We utilized…
We derive expressions for energy flow in terms of lattice normal mode coordinates and energy transmission involving reduced group velocities. With a version of Landauer formula appropriate for lattice dynamic approach, the phonon…
Superconducting high-entropy alloys have recently emerged as a new platform for exploring superconductivity in highly disordered metallic systems and may offer advantages for applications requiring mechanical robustness and tolerance to…
Nanostructured materials enable high thermal transport tunability, holding promises for thermal management and heat harvesting applications. Predicting the effect that nanostructuring has on thermal conductivity requires models, such as the…
We present an exploration of the effect of electron-phonon coupling and broken inversion symmetry on the electronic and thermal properties of the semimetal LaRhGe$_3$. Our transport measurements reveal evidence for electron-hole…
We study superconductivity and superfluid weight of the two-dimensional $\alpha$-$\mathcal{T}_3$ lattice with on-site asymmetries, hosting an isolated quasi-flat band with tunable bandwidth via a parameter $\alpha$. Within a mean-field…
Systematic benchmark calculations for elemental bulks are presented to validate the accuracy of density functional theory for superconductors. We developed a method to treat the spin-orbit interaction (SOI) together with the spin…
We calculate electronic energy transport in inhomogeneous superconductors using a fully self-consistent non-equilibrium quasiclassical Keldysh approach. We develop a general theory and apply it a superconductor with an order parameter that…
We show that resonant electron transport in semiconductor superlattices with an applied electric and tilted magnetic field can, surprisingly, become more pronounced as the lattice and conduction electron temperature increases from 4.2 K to…
X-ray powder diffraction, electrical resistivity, magnetization, and thermodynamic measurements were conducted to investigate the structure and superconducting properties of TiHfNbTaMo, a novel high-entropy alloy possessing a valence…
The alloys with 8/18/24 valence electron count (VEC) are promising candidates for efficient energy conversion and refrigeration applications at low as well as high temperatures. The full potential linearized augmented plane wave method as…
PbTe, one of the most promising thermoelectric materials, has recently demonstrated thermoelectric figure of merit ($ZT$) of above 2.0 when alloyed with group II elements. The improvements are due mainly to significant reduction of lattice…