Related papers: Mechanically-Controlled Binary Conductance Switchi…
Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the…
We present a qualitative model for a fundamental process in molecular electronics: the change in conductance upon bond breaking. In our model a diatomic molecule is attached to spin-polarized contacts. Employing a Hubbard Hamiltonian,…
We theoretically investigate the transport properties of a quasi one dimensional ferromagnet-superconductor junction where the superconductor consists of mixed singlet and triplet pairings. We show that the relative orientation of the…
The interaction between electronic and vibrational degrees of freedom in single-molecule junctions may result from the dependence of the electronic energies or the electronic states of the molecular bridge on the nuclear displacement. The…
Experimental results showing huge negative differential conductance in gold-hydrogen molecular nanojunctions are presented. The results are analyzed in terms of two-level system (TLS) models: it is shown that a simple TLS model cannot…
The oxidation and spin state of a metal-organic molecule determine its chemical reactivity and magnetic properties. Here, we demonstrate the reversible control of the oxidation and spin state in a single Fe-porphyrin molecule in the force…
A class of bistable "stator-rotor" molecules is proposed, where a stationary bridge (stator) connects the two electrodes and facilitates electron transport between them. The rotor part, which has a large dipole moment, is attached to an…
The charge-memory effect, bistability and switching between charged and neutral states of a molecular junction, as observed in recent STM experiments, is considered within a minimal polaron model. We show that in the case of strong…
We analyse the phenomenon of back-hopping in spin-torque induced switching of the magnetization in perpendicularly magnetized tunnel junctions. The analysis is based on single-shot time-resolved conductance measurements of the pulse-induced…
Structural transformations, electronic spectra and ballistic transport in pulled gold nanowires are investigated with ab initio simulations, and correlated with recent measurements. Strain-induced yield of an initial double-strand wire…
The transport properties of unsubstituted and amino-substituted butanethiol molecules sandwiched between Au electrodes are investigated by using first-principles approaches. New states are observed around the Fermi levels when -NH2 is…
Understanding how the mechanism of charge transport through molecular tunnel junctions depends on temperature is crucial to control electronic function in molecular electronic devices. With just a few systems investigated as a function of…
A Mn-porphyrin was contacted on Au(111) in a low-temperature scanning tunneling microscope (STM). Differential conductance spectra show a zero-bias resonance that is due to an underscreened Kondo effect according to many-body calculations.…
We study the variation of electron transmission through Au-S-benzene-S-Au junctions and related systems as a function of the structure of the Au:S contacts. For junctions with semi-infinite flat Au(111) electrodes, the highly coordinated…
Switching of a single photon interacting with two {\Lambda}-type three-level quantum dots embedded in cavities coupled to one-dimensional waveguide is investigated theoretically via the real-space approach. We demonstrated that switching of…
We propose a new approach to coherent control of transport via molecular junctions, which bypasses several of the hurdles to experimental realization of optically manipulated nanoelectronics noted in the previous literature. The method is…
The use of single molecules to design electronic devices is an extremely challenging and fundamentally different approach to further downsizing electronic circuits. Two-terminal molecular devices such as diodes were first predicted [1] and,…
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…
Helicenes are inherently chiral polyaromatic molecules composed of all-ortho fused benzene rings possessing a spring-like structure. Here, using a combination of density functional theory and tight-binding calculations, it is demonstrated…
We apply the mechanically controllable break junctions technique to investigate the transition from tunneling to direct contact in tungsten. This transition is quite different from that of other metals and is determined by the local…