Related papers: Higher harmonics and ac transport from time depend…
We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based carrying out density functional theory within the…
The accurate simulation of real--time quantum transport is notoriously difficult, requiring a consistent scheme to treat incoming and outgoing fluxes at the boundary of an open system. We demonstrate a method to converge non--equilibrium…
We give a further step in the quantum mechanical description of engineered atomic spin structures by deriving a master equation of the Redfield type that governs the dynamics of the atomic spin density matrix. By generalizing this approach…
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…
An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results…
Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…
The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…
The combined action of a DC bias and a microwave drive on the transport characteristic of a superconductor-quantum dot-superconductor junction is investigated. To cope with time dependent non-equilibrium effects and interactions in the…
We compute direct current (dc) thermoelectric transport coefficients in strongly coupled quantum field theories without long lived quasiparticles, at finite temperature and charge density, and disordered on long wavelengths compared to the…
We show that the recently developed optical lattices with Peierls substitution -- which can be modeled as a lattice with a complex tunneling coefficient -- may be used to induce controllable quantum transport of ultra-cold atoms. In…
We compute AC electrical transport at quantum Hall critical points, as modeled by intersecting branes and gauge/gravity duality. We compare our results with a previous field theory computation by Sachdev, and find unexpectedly good…
Soft nanosystems are electronic nanodevices, such as suspended carbon nanotubes or molecular junctions, whose transport properties are modulated by soft internal degrees of freedom, for example slow vibrational modes. In this review,…
We investigate the time-dependent, coherent, and dissipative dynamics of bound particles in single multilevel quantum dots in the presence of sequential tunnelling transport. We focus on the nonequilibrium regime where several channels are…
We construct a holographic effective superconducting theory by considering a special gauge-axion higher derivative term. The gauge-axion coupling results in the transport behavior similar to the vortex response in the dual boundary field…
A discussion of recent work on time-dependent transport in mesoscopic structures is presented. The discussion emphasizes the use of time-dependent transport to gain information on the charge distribution and its collective dynamics. We…
We develop a very general perturbative theory of time-dependent transport in a weak tunneling junction which is independent of experimental details and on many-body correlated states in the coupled conductors. These can be similar or…
We present ab initio calculations of transport properties of atomic-sized aluminum contacts in the presence of oxygen. The experimental situation is modeled by considering a single oxygen atom (O) or one of the molecules O2 and O3 bridging…
The transport properties of a octane-dithiol (ODT) molecule coupled to Au(001) leads are analyzed using density functional theory and non-equilibrium Green functions. It is shown that a symmetric molecule can turn into a diode under…
Theoretical and experimental values to date for the resistances of single molecules commonly disagree by orders of magnitude. By reformulating the transport problem using boundary conditions suitable for correlated many-electron systems, we…
We explore electron transport properties for the model of benzene-1, 4-dithiolate (BDT) molecule and for some other geometric models of benzene molecule attached to two semi-infinite one-dimensional metallic electrodes using the Green's…