Related papers: Heat transport through atomic contacts
Gold atomic point contacts are prototype systems to evidence ballistic electron transport. The typical dimension of the nanojunction being smaller than the electron-phonon interaction length, even at room temperature, electrons transfer…
Controlling the transmission of electrical current using a quantum point contact constriction paved a way to a large variety of experiments in mesoscopic physics. The increasing interest in heat transfer in such systems fosters questions…
Molecules of bisthiolterthiophene have been adsorbed on the two facing gold electrodes of a mechanically controllable break junction in order to form metal-molecule(s)-metal junctions. Current-voltage (I-V) characteristics have been…
Electrical conductance through various nanocontacts between gold electrodes is studied by using the density functional theory, scalar-relativistic pseudopotentials, generalized gradient approximation for the exchange-correlation energy and…
Mean field theory is applied to nonequilibrium thermal energy transport in a model molecular junction. An approximation to the total time-dependent heat current in the junction is constructed using an ensemble of Ehrenfest trajectories, and…
Quantum heat transfer through a generic superconducting set-up consisting of a tunable transmon qubit placed between resonators that are termined by thermal reservoirs is explored. Two types of architectures are considered, a sequential and…
Atomic-sized junctions of iron, created by controlled rupture, present unusually high values of conductance compared to other metals. This result is counter-intuitive since, at the nanoscale, body-centered cubic metals are expected to…
Using first-principles calculations based on density functional theory combined with the non-equilibrium Green's function approach, the transport behaviors of a single-molecule junction formed by benzenedithiol connected to gold electrodes…
We study the variation of electron transmission through Au-S-benzene-S-Au junctions and related systems as a function of the structure of the Au:S contacts. For junctions with semi-infinite flat Au(111) electrodes, the highly coordinated…
Quantum heat transport devices are currently intensively studied in theory. Experimental realization of quantum heat transport devices is a challenging task. So far, they have been mostly investigated in experiments with ultra-cold atoms…
The thermodynamics of low-dimensional systems departs significantly from phenomenologically deducted macroscopic laws. Particular examples, not yet fully understood, are provided by the breakdown of Fourier's law and the ballistic transport…
The rate of electron transfer between a molecular species and a metal, each at a different local temperature, is examined theoretically through implementation of a bithermal (characterized by two temperatures) Marcus formalism. Expressions…
Turning gold nanoparticles (AuNPs) into nanoscale heat sources via light irradiation has prompted significant research interest, particularly for biomedical applications over the past few decades. The AuNP's tunable photothermal effect,…
Among all materials, mono-crystalline diamond has one of the highest measured thermal conductivities, with values above 2000 W/m/K at room temperature. This stems from momentum-conserving `normal' phonon-phonon scattering processes…
Phonon heat transport in mesoscopic systems is investigated using methods analogous to the Landauer description of electrical conductance. A "universal heat conductance" expression that depends on the properties of the conducting pathway…
Advances in machine learning have led to the development of foundation models for atomistic materials chemistry, enabling quantum-accurate descriptions of interatomic forces across chemically diverse compounds at reduced computational cost.…
We consider the singular electron-electron interaction corrections to the transport coefficients in disordered metals to test the validity of the Wiedemann-Franz law. We develop a local, quantum kinetic equation approach in which the charge…
Charge transport is a revealing probe of the quantum properties of materials. Strong interactions can blur charge carriers resulting in a poorly understood "quantum soup". Here we study the conductivity of the Fermi-Hubbard model, a testing…
We investigate the heat conduction properties of molecular junctions comprising anharmonic interactions. We find that nonlinear interactions can lead to novel phenomena: it negative differential thermal conductance and heat rectification.…
Quantum correlation and hot-carrier transport represent two fundamentally distinct regimes of electronic conduction, rarely accessible within the same device. Here, we report a state-of-the-art monolayer transition metal dichalcogenides…