相关论文: Sharp negative differential resistance from vibrat…
In relation to recent experimental data [1], we develop a theory framework for demonstrating the feasibility of detecting sharp Nuclear Magnetic Resonance (NMR) oscillations in a real time ESR data. The procedure is to follow real time…
Using non-equilibrium Green's function formalism, we investigate nonlinear transport and charging effects of gated graphene nanoribbons (GNRs) with even number of zigzag chains. We find a negative differential resistance (NDR) over a wide…
We consider charge transport through a nanoscopic object, e.g. single molecules, short nanotubes, or quantum dots, that is weakly coupled to metallic electrodes. We account for several levels of the molecule/quantum dot with level-dependent…
In this work, we present the analytical derivation and implementation of the quantum electrodynamics Hartree-Fock Hessian. We investigate how electronic strong coupling influences molecular vibrational properties, applying this framework to…
The vibrational dynamics of adsorbate molecules in single-molecule junctions depend critically on the geometric structure and electronic interactions between molecule and substrate. Vibrations, excited mechanochemically or by external…
We demonstrate that the different magnetic states of a Mn12 molecule can be distinguished in a two-probe transport experiment from a complete knowledge of the current-voltage curve. Our results, obtained with state-of-the-art…
Nanoscale molecular-electronic devices and machines are emerging as promising functional elements, naturally flexible and efficient, for next generation technologies. A deeper understanding of carrier dynamics in molecular junctions is…
Optically addressable solid-state spin defects are essential platforms for quantum sensing and information processing. Recently, single spin defects with combined S = 1 and S = 1/2 spin transitions were discovered in hexagonal boron nitride…
The interplay between superconductivity and the Kondo effect has stimulated significant interest in condensed matter physics. They compete when their critical temperatures are close and can give rise to a quantum phase transition that can…
As a step towards a more realistic modeling of vibrations in single-molecule devices, we investigate the effects of charge-dependent vibrational frequencies and anharmonic potentials on electronic transport. For weak phonon relaxation, we…
Nuclear magnetic resonance (NMR) spectroscopy provides unparalleled access to molecular structure and dynamics but is traditionally limited by weak signal strength, requiring large sample volumes and high magnetic fields. Here, we…
Global gyrokinetic simulation of the ion temperature gradient mode shows that the radial electric field ($E_r$) well upshifts the critical temperature gradient near the magnetic axis, in the weak but not in the strong magnetic shear…
We study the effect of a direct Giant Dipole Resonance ($GDR$) excitation in intermediate dinuclear systems with exotic shape and charge distributions formed in charge asymmetric fusion entrance channels. A related enhancement of the $GDR$…
In order to study isovector dipole response of neutron-rich nuclei, we have applied a time-dependent method of antisymmetrized molecular dynamics. The dipole resonances in Be, B and C isotopes have been investigated. In $^{10}$Be, $^{15}$B,…
Recent experiments in polariton chemistry have demonstrated that reaction rates can be modified by vibrational strong coupling to an optical cavity mode. Importantly, this modification only occurs when the frequency of the cavity mode is…
We present results of extensive computer simulations and theoretical analysis of vibrational phase relaxation of a nitrogen molecule along the critical isochore and also along the gas-liquid coexistence. The simulation includes all the…
We present the appearance of negative differential resistance (NDR) in spin-dependent electron transport through a few-atom spin-chain. A chain of three antiferromagnetically coupled Fe atoms(Fe trimer) was positioned on a Cu2N/Cu(100)…
Devices for nano- and molecular size electronics are currently a focus of research aimed at an efficient current rectification and switching. A few generic molecular scale devices are reviewed here on the basis of first-principles and model…
We present a first-principles study of the multimode Jahn-Teller (JT) effect in the exctied $^{3}E$ state of the negatively charged nitrogen-vacancy (NV) center in diamond. Using density functional theory combined with an intrinsic…
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…