Related papers: Vibrational cooling, heating, and instability in m…
We propose a model for a molecular junction with internal anharmonic torsional vibrations interacting with an electric current. The Wangsness-Bloch-Redfield master equation approach is used to determine the stationary reduced density matrix…
Motivated by recent experiments [Lee et al. Nature 498, 209 (2013)], we present here a detailed theoretical analysis of the Joule heating in current-carrying single-molecule junctions. By combining the Landauer approach for quantum…
We study heat exchange in temperature-biased metal-molecule-metal molecular junctions by employing the LAMMPS atomic molecular dynamics simulator. Generating the nonequilibrium steady state with Langevin thermostats at the boundaries of the…
The atmosphere of a hot jupiter may be subject to a thermo-resistive instability, in which the increasing electrical conductivity with temperature leads to runaway Ohmic heating. We introduce a simplified model of the local dynamics in the…
Using first principle approaches, we investigate the effects of isotope substitution on the inelastic features in the hydrogen molecular junction. We observe thatlocal heating and inelastic current have significant isotope-substitution…
We propose a mechanism which allows one to control the transmission of single electrons through a molecular junction. The principle utilizes the emergence of transmission sidebands when molecular vibrational modes are coupled to the…
A model of a superconducting tunnel junction coupled to a mechanical oscillator is studied at zero temperature in the case of linear coupling between the oscillator and tunneling electrons. It is found that the Josephson current flowing…
We studied the properties of the intramolecular vibrational excitation (vibron) at finite temperature in a system which consists of two parallel macromolecular chains. It was assumed that vibron interacts exclusively with dispersionless…
Heating in nanoscale systems driven out of equilibrium is of fundamental importance, has ramifications for technological applications, and is a challenge to characterize experimentally. Prior experiments using nanoscale junctions have…
Transport through a molecular device coupled to a vibrational mode is studied. By mapping it to the Yu-Anderson model in the large contact broadening limit, the zero bias electric and heat conductances are evaluated non-perturbatively.…
This work investigates the relationship between self-heating and the characteristic features observed in the current-voltage characteristics (IVCs) of superconductor-insulator-superconductor (SIS) junctions. Finite-element analysis is…
The structure of the hot downstream region below a radiative accretion shock, such as that of an accreting compact object, may oscillate due to a global thermal instability. The oscillatory behaviour depends on the functional forms of the…
We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…
Accurate prediction of electron temperature ($T_{\rm e}$) in non-equilibrium {plasma} flows is critical, yet hampered by inadequate models for electron heating from vibrationally excited states. Prior models often relied on ad-hoc scaling…
The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…
Accurate prediction of electron temperature ($T_{\rm e}$) in non-equilibrium plasma flows is critical for applications ranging from hypersonic flight to plasma-assisted combustion. We recently proposed a thermodynamically consistent model…
Here we present a theoretical analysis of inelastic effects on thermoelectric properties of molecular-scale junction in both linear and nonlinear response regimes. Considered device is composed of molecular quantum dot (with discrete energy…
A microscopic model of interacting oscillators, which admits two conserved quantities, volume, and energy, is investigated. We begin with a system driven by a general nonlinear potential under high-temperature regime by taking the inverse…
Electron transport through amorphous monatomic metallic structures generated earlier by molecular dynamics simulations is studied numerically. The interference of electronic trajectories backscattered by the structural disorder probes the…
By using a propagation scheme for current matrices and an auxiliary mode expansion method, we investigate the transient dynamics of a single molecular junction coupled with a vibrational mode. Our approach is based on the Anderson-Holstein…