相关论文: Revealing molecular orbital gating by transition-v…
This paper addresses the question of whether a ``rigid molecule'' (one which does not deform in an external field) used as the conducting channel in a standard three-terminal MOSFET configuration can offer any performance advantage relative…
It was observed in recent experiments that the current-voltage characteristics (IV) of BPDN-DT (bipyridyl- dinitro- oligophenylene- ethynylene- dithiol) can be switched in a very controlled manner between "on" and "off" traces by applying a…
The strong coupling between electronic transport in a single-level quantum dot and a capacitively coupled nano-mechanical oscillator may lead to a transition towards a mechanically-bistable and blocked-current state. Its observation is at…
We present a theory describing interaction of structured light, such as light carrying orbital angular momentum, with molecules. The light-matter interaction Hamiltonian we derive is expressed through couplings between spherical gradients…
We investigate the formation of the one-dimensional channels on the topological surface under the gate electrode. The energy dispersion of these channels is almost linear in the momentum with the velocity sensitively depending on the…
Many ion channels spontaneously switch between different levels of activity. Although this behaviour known as modal gating has been observed for a long time it is currently not well understood. Despite the fact that appropriately…
We present a device architecture of hybrid-edge and dual-gated quantum point contact. We demonstrate improved electrostatic control over the separation, position, and coupling of each broken-symmetry compressible strip in graphene. Via…
By means of a Wannier projection within the framework of density functional theory, we are able to identify the modified c-axis hopping and the energy mismatch between the cation bands as the main source of the $t_{2g}$ splitting around the…
We demonstrate the application of orbital k-space tomography for the analysis of the bonding occurring at metal-organic interfaces. Using angle-resolved photoelectron spectroscopy (ARPES), we probe the spatial structure of the highest…
The description of interactions in strongly-correlated topological phases of matter remains a challenge. Here, we develop a stochastic functional approach for interacting topological insulators including both charge and spin channels. We…
The angular momentum of molecules, or, equivalently, their rotation in three-dimensional space, is ideally suited for quantum control. Molecular angular momentum is naturally quantized, time evolution is governed by a well-known Hamiltonian…
High harmonic generation (HHG) provides a flexible framework for the development of coherent light sources in the extreme-ultraviolet and soft x-ray regimes. However it suffers from low conversion efficiencies as the control of the HHG…
Gatemon qubits are based on a superconductor-quantum dot-superconductor (S-QD-S) junction which enables in situ electrostatic tuning via a gate electrode. For a single-channel QD this structure gives rise to two subgap Andreev bound states…
Frontier orbitals, i.e., the highest occupied and lowest unoccupied orbitals of a molecule, generally determine molecular properties, such as chemical bonding and reactivities. Consequently, there has been a lot of interest in measuring…
While providing a highly accurate framework for simulating laser-induced many-electron dynamics in atom and molecules, including linear and nonlinear steady-state and transient absorption spectra, time-dependent coupled-cluster theory does…
We investigate the possibility of optical current control through single molecules which are weakly coupled to leads. A master equation approach for the transport through a molecule is combined with a Floquet theory for the time-dependent…
The obstructed atomic insulators are insulators with both atomic limits and boundary states. In this work, we study the obstructed atomic insulators under correlation. We use the symmetry indicators by constructing many-body wavefunctions…
The physiology of voltage gated ion channels is complex and insights into their gating mechanism is incomplete. Their function is best represented by Markov models with relatively large number of distinct states that are connected by…
Vibrational modes of molecules are fundamental properties determined by intramolecular bonding, atomic masses, and molecular geometry, and often serve as important channels for dissipation in nanoscale processes. Although single-molecule…
Atomic and molecular scattering at semiconductor interfaces plays a central role in surface chemistry and catalysis, yet predictive simulations remain challenging due to strong nonadiabatic effects causing the breakdown of the…