Related papers: Length-dependent thermopower of single-molecule ju…
We investigated size effects on thermoelectricity in thin films of a strongly correlated layered cobaltate. At room temperature, the thermopower is independent of thickness down to 6 nm. This unusual behavior is inconsistent with the…
Molecular junctions comprise small molecules on the order of one or a few nanometers in length, chemically attached to two electrodes of metal or semiconductors. They have recently been identified as promising candidates for…
The realization of molecular-based electronic devices depends to a large extent on the ability to mechanically stabilize the involved molecular bonds, while making use of efficient resonant charge transport through the device. Resonant…
Interest in the protein folding problem has motivated a wide range of theoretical and experimental studies of the kinetics of the collapse of flexible homopolymers. In this Paper a phenomenological model is proposed for the kinetics of the…
A model for the thermodynamics of a quantum heat bath is introduced. Under the assumption that the bath molecules have finitely many degrees of freedom and are weakly interacting, we present a general derivation of the equation of state of…
Thermocurrent flowing through a single-molecule device contains valuable information about the quantum properties of the molecular structure and, in particular, on its electronic and phononic excitation spectra, and entropy. Furthermore,…
We find the charge and heat currents caused by a temperature difference applied to a superconducting point contact or to a quantum point contact between a superconducting and normal conductors. The results are formulated in terms of the…
Inspired by the Melan equation we propose a model for suspension bridges with two cables linked to a deck, through inextensible hangers. We write the energy of the system and we derive from variational principles two nonlinear and nonlocal…
The time-dependent thermopower is analyzed through an interacting quantum dot coupled to a time-dependent gate voltage and under the influence of an external magnetic field using the Keldysh nonequilibrium Green's function formalism. Formal…
A hallmark of a thermodynamic phase transition is the qualitative change of system thermodynamic properties such as energy and heat capacity. On the other hand, no phase transition is thought to operate in the supercritical state of matter…
Combining simulations and theory I study the interplay between bundle elastic degrees of freedom and crosslink binding propensity. By slowly driving bundles into a deformed configuration, and depending on the mechanical stiffness of the…
Using molecular dynamics simulations we investigate the relaxation dynamics of a supercooled liquid close to a rough as well as close to a smooth wall. For the former situation the relaxation times increase strongly with decreasing distance…
We use the concept of resonant tunneling to calculate the thermopower of molecular nanosystems. It turns out that the sign of the thermovoltage under resonant tunneling conditions depends sensitively on the participating molecular orbital,…
We study the thermopower of a three-terminal setup composed of a quantum dot attached to three electrodes, one of which is a topological superconductor. In the model, superconductivity is explicitly taken into account. We compare the…
We have studied the thermodynamics of isolated homopolymer chains of varying stiffness using a lattice model. A complex phase behaviour is found; phases include chain-folded `crystalline' structures, the disordered globule and the coil. It…
In this paper, we experimentally explore the formation, evolution and breakup of Armstrong liquid bridge. The extremely complicated evolution stage is revealed, which involves many coupled processes including the morphology change, current…
The tight binding model is a minimal electronic structure model for molecular modelling and simulation. We show that the total energy in this model can be decomposed into site energies, that is, into contributions from each atomic site…
We show how to construct non-equilibrium thermodynamics for systems too small to be considered thermodynamically in a traditional sense. Through the use of a non-equilibrium ensemble of many replicas of the system which can be viewed as a…
Thermally induced spin-dependent transport across magnetic tunnel junctions is theoretically investigated. We analyze the thermal analog of Slonczewski's model (as well as its limiting case---Julliere's model) of tunneling magnetoresistance…
The conductance of a single metal-molecule-metal junction depends critically on the conformations of the molecule. In the simple case of a biphenyl, two phenyl rings linked together by a single C-C bond, the conductance is expected to…