相关论文: A theoretical model for single molecule incoherent…
On the basis of the nonequilibrium Green's function and nonperturbative canonical transformation for the local electron-phonon interaction (EPI), the quantum transport through a single-molecule transistor(SMT) has been investigated with a…
Thermal transport in low-dimensional semiconductors is crucial for advancing thermal management in nanoelectronics, quantum devices, and thermoelectric devices. Recent molecular dynamics (MD) studies have identified a nonmonotonic…
We study manifestations of spin-charge separation (SCS) in transport through a tunnel-coupled interacting single-channel quantum ring. We focus on the high-temperature case (temperature $T$ larger than the level spacing $\Delta$) and…
We describe how the spin Hall effect (SHE) can be studied from ab-initio by combining density functional theory with the non-equilibrium Green's functions technique for quantum transport into the so-called DFT+NEGF method. After laying down…
Quantum transport through single molecules is essentially affected by molecular vibrations. We investigate the behavior of the prototype single-level model with intermediate electron-vibron coupling and arbitrary coupling to the leads. We…
Electron transfer processes at molecule-semiconductor interfaces involve a complex mixture of thermionic, tunneling and hopping events. Traditionally these processes have been modeled in a piece-meal fashion, relying on phenomenological…
Detection of a single nuclear spin constitutes an outstanding problem in different fields of physics such as quantum computing or magnetic imaging. Here we show that the energy levels of a single nuclear spin can be measured by means of…
High harmonic generation (HHG) in solid and gaseous targets has been proven to be a powerful avenue for the generation of attosecond pulses, whereas the influence of electron-phonon scattering on HHG is a critical outstanding problem. Here…
Non-equilibrium Greens function techniques (NEGF) combined with Density Functional Theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nano-junctions in the coherent…
Recent work shows that inelastic electron scanning tunneling microscope (STM) probes the elementary spin excitations of a single and a few magnetic atoms in a thin insulating layer. Here I show that this new type of spectroscopy is…
Radiative heat transfer (RHT) at the nanoscale can vastly exceed the far-field blackbody limit due to the tunneling of evanescent waves, a phenomenon traditionally described by fluctuational electrodynamics (FE). While FE has been…
We study heating and heat dissipation of a single \c60 molecule in the junction of a scanning tunneling microscope (STM) by measuring the electron current required to thermally decompose the fullerene cage. The power for decomposition…
Energy-level alignment (ELA) at buried interfaces between electrode and molecular materials sets charge injection barriers, carrier selectivity, and ultimately device efficiency, yet it is challenging to quantify under operating conditions.…
The ab-initio theory of charge transport in semiconductors typically employs the lowest-order perturbation theory in which electrons interact with one phonon (1ph). This theory is accepted to be adequate to explain the low-field mobility of…
Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function…
A scanning tunneling microscope (STM) can probe the inelastic spin excitations of single magnetic atoms in a surface via spin-flip assisted tunneling. A particular and intriguing case is the Mn dimer case. We show here that the existing…
The electron transport through a three-terminal single-molecular transistor (SMT) is theoretically studied. We find that the differential conductance of the third and weakly coupled terminal versus its voltage matches well with the spectral…
Scanning Tunneling Spectroscopy (STS) is a unique technique to probe the local density of states (LDOS) at the atomic scale by measuring the tunneling conductance between a sharp tip and a sample surface. However, the technique suffers of…
Two-terminal spintronic devices remain challenging to model under realistic operating conditions, where the interplay of complex electronic structures, correlation effects and bias-driven non-equilibrium dynamics may significantly impact…
The nonequilibrium Green's function (NEGF) method is often used to predict transport in atomistically resolved nanodevices and yields an immense numerical load when inelastic scattering on phonons is included. To ease this load, this work…