Related papers: Ballistic thermal rectification in nanoscale three…
SrTiO$_3$ has been extensively investigated owing to its abundant degrees of freedom for modulation. However, the microscopic mechanism of thermal transport especially the relationship between phonon scattering and lattice distortion during…
A three-terminal thermoelectric device based on a $p$-$i$-$n$ semiconductor junction is proposed, where the intrinsic region is mounted onto a, typically bosonic, thermal terminal. Remarkably, the figure of merit of the device is governed…
The impact of point defects on thermal transport in uranium nitride (UN) is investigated using a MLIP combined with Green-Kubo (GK) and normal mode analysis (NMA) methods over 300-1500 K. In pristine UN, temperature-dependent calculations…
We theoretically investigate spin-resolved thermoelectric transport in a triangular ladder geometry hosting antiferromagnetic spin alignment, where lattice topology and magnetic ordering jointly enable highly efficient spin-selective energy…
The phonon thermal transport properties of eight ternary intermetallic semiconductors are investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. The commonly used…
We employ classical molecular dynamics to study the nonlinear thermal transport in graphene nanoribbons (GNRs). For GNRs under large temperature biases beyond linear response regime, we have observed the onset of negative differential…
Tuning thermal transport in nanostructured materials is a powerful approach to develop high-efficiency thermoelectric materials. Using a recently developed approach based on the phonon mean free path dependent Boltzmann transport equation,…
Steady-state thermal transport in nanostructures with dimensions comparable to the phonon mean-free-path is examined. Both the case of contacts at different temperatures with no internal heat generation and contacts at the same temperature…
We study the thermal transport of a spin-1/2 two leg antiferromagnetic ladder in the direction of legs. The possible effect of spin-orbit coupling and crystalline electric field are investigated in terms of anisotropies in the Heisenberg…
We study the rectification of near-field radiative heat transfer between two InSb nano-particles due to the presence of non-reciprocal surface modes in a nearby InSb sample when an external magnetic field is applied and its dependence on…
Although the Boltzmann transport equation (BTE) has been exploited to investigate non-diffusive phonon transport for decades, due to the challenges of solving this integro-differential equation, most standard techniques for thermal…
Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…
We examine the electronic heat transport phenomena in nanoscale junctions composed of organic molecules coupled to two metallic reservoirs of different temperatures. The electronic heat flux and its dynamical noise properties are calculated…
In this work, we investigated the effect of knots in the thermal transport of graphene nanoribbons through non-equilibrium molecular dynamics simulations. We considered the cases of one, two, and three knots are present. Temperature jumps…
To develop effective thermal management strategies for GaN transistors, it is essential to accurately predict the device junction temperature. Since the width of the heat generation in the devices is comparable to phonon mean free paths of…
A non-equilibrium Green's function formalism is used to study in detail the ballistic conductance of asymmetrically biased side-gated quantum point contacts (QPCs) in the presence of lateral spin-orbit coupling and electron-electron…
We describe a first-principles method for calculating electronic structure, vibrational modes and frequencies, electron-phonon couplings, and inelastic electron transport properties of an atomic-scale device bridging two metallic contacts…
Thermal transport in low-dimensional semiconductors is crucial for advancing thermal management in nanoelectronics, quantum devices, and thermoelectric devices. Recent molecular dynamics (MD) studies have identified a nonmonotonic…
We investigate thermoelectric efficiency of systems with broken time reversal symmetry under a three-terminal transport. Using a model of Aharonov-Bohm interferometer formed with three noninteracting quantum dots, we show that Carnot…
We study the thermal conductance of ballistic point contacts. These contacts are realized as few nanometer long pillars in so called air-gap heterostructures (AGHs). The pillar length being much smaller that the mean free path of the…