相关论文: Thermal conductance through molecular wires

Ordered crystalline compounds exhibiting ultralow and glass-like thermal conductivity are both fundamentally and technologically important, where phonon quasi-particles dominate their heat transport. Understanding the microscopic mechanisms…

In this article, we address lattice heat transport in single-walled carbon nanotubes (CNTs) by a quantum mechanical calculation of three-phonon scattering rates in the framework of the Boltzmann transport equation (BTE) and classical…

Carbon atomic chain, linear benzene polymers, and carbon nanothreads are all one-dimensional (1D) ultrathin carbon structures. They possess excellent electronic and mechanical properties; however, their thermal transport properties have…

Spatially-resolved heating and cooling in nanostructures is nowadays measured with various nanoscale thermometry techniques, including scanning thermometry. Yet the most commonly used theory of nanoscale heating and thermoelectricity --…

Phonon modes and their dispersion relations in ultrathin homogenous dielectric membranes are calculated using elasticity theory. The approach differs from the previous ones by a rigorous account of the effect of the film surfaces on the…

In molecular devices electronic degrees of freedom are coupled to vibrational modes of the molecule, offering an opportunity to study fundamental aspects of this coupling between at the nanoscale. To this end we consider the nonequilibrium…

While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…

The process of heat conduction in one-dimensional lattice with on-site potential is studied by means of numerical simulation. Using discrete Frenkel-Kontorova, $\phi$--4 and sinh-Gordon we demonstrate that contrary to previously expressed…

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…

We study the low-temperature heat transport in clean two-leg spin ladder compounds coupled to three-dimensional phonons. We argue that the very large heat conductivities observed in such systems can be traced back to the existence of…

We study heating effects in a chain of weakly coupled grains due to electron-hole pair creation. The main mechanism for the latter at low temperatures is due to inelastic electron cotunneling processes in the array. We develop a…

Periodic hole array phononic crystals (PnC) can strongly modify the phonon dispersion relations, and have been shown to influence thermal conductance coherently, especially at low temperatures where scattering is suppressed. One very…

We present a general nonequilibrium Green's function formalism for modeling heat transfer in systems characterized by linear response that establishes the formal algebraic relationships between phonon and radiative conduction, and reveals…

We study the dynamical correlation functions and heat conduction for the simplest model of quasi one-dimensional (1d) dielectric crystal i.e. a chain of classical particles coupled by quadratic and cubic intersite potential. Even in the…

The length dependence of the thermal conductivity over more than two decades is systematically studied for a range of materials, interatomic potentials and temperatures, by the atomistic approach-to-equilibrium molecular dynamics method…

In a semiclassical view superconductivity is attributed exclusively to the advance of atoms' outer s electrons through the nuclei of neighbor atoms in a solid. The necessary progression of holes in the opposite direction has the electric…

Atomic and single-molecule junctions represent the ultimate limit to the miniaturization of electrical circuits. They are also ideal platforms to test quantum transport theories that are required to describe charge and energy transfer in…

Thermal transport acts as a powerful tool for studying the excitations and physical properties of insulators, where a charge gap suppresses electronic conduction. Recently, the thermal Hall effect has been observed across various materials,…

Based on the phonon Boltzmann transport equation under the relaxation time approximation, analytical expressions for the temperature profiles of both steady state and modulated heat conduction inside a thin film deposited on a substrate are…

We present a systematic ab-initio study of the length dependence of the thermopower in molecular junctions. The systems under consideration are small saturated and conjugated molecular chains of varying length attached to gold electrodes…