Related papers: Controlled Stability of Molecular Junctions
First-principles calculations reported here illuminate the effects of the interfacial properties of $\alpha$-Al$_{2}$O$_{3}$ and graphene, with emphasis on the structural and electronic properties. Various contact interfaces and different…
The work presents the electronic structure, spin state and optical properties of TM-dinuclear molecules (TM = Cr, Mn, Fe, Co, and Ni) which was modelled according to the recently reported Pt$^{II}$-dinuclear complex…
Sulphur vacancies in MoS$_2$ on Au(111) have been shown to be negatively charged as reflected by a Kondo resonance. Here, we use scanning tunneling microscopy to show that these vacancies serve as anchoring sites for thiol-based molecules…
Materials with massless Dirac fermions can possess exceptionally strong and widely tunable optical nonlinearities. Experiments on graphene monolayer have indeed found very large third-order nonlinear responses, but the reported variation of…
This article takes a broad view of the understanding of magnetic bistability and magnetic quantum tunneling in single-molecule magnets (SMMs), focusing on three families of relatively simple, low-nuclearity transition metal clusters: spin S…
Droplet breakup is an important phenomenon in the field of microfluidics to generate daughter droplets. In this work, a novel breakup regime in the widely studied T-junction geometry is reported, where the pinch-off occurs laterally in the…
We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to…
Highly conductive molecular junctions were formed by direct binding of benzene molecules between two Pt electrodes. Measurements of conductance, isotopic shift in inelastic spectroscopy and shot noise compared with calculations provide…
A magnetic domain boundary on the surface of a three-dimensional topological insulator is predicted to host a chiral edge state, but direct demonstration is challenging. Here, we used a scanning superconducting quantum interference device…
Transition-metal phthalocyanine molecules have attracted considerable interest in the context of spintronics device development due to their amenability to diverse bonding regimes and their intrinsic magnetism. The latter is highly…
We propose a new layered-ternary Ta4SiC3 with two different stacking sequences ({\alpha}- and {\beta}-phases) of the metal atoms along c axis and study their structural stability. The mechanical, electronic and optical properties are then…
We study coherent phonon transport through organic, \pi-conjugated molecules. Using first principles calculations and Green's function methods, we find that the phonon transmission function in cross-conjugated molecules, like meta-connected…
Molecular electronics targets tiny devices exploiting the electronic properties of the molecular orbitals, which can be tailored and controlled by the chemical structure/conformation of the molecules. Many functional devices have been…
Low-temperature three-terminal transport measurements through a thiol end-capped Pi -conjugated molecule have been carried out. Electronic excitations, including zero and finite-bias Kondo-effects have been observed and studied as a…
A parametric numerical study of three-dimensional instability of steady flows in a helical pipe of arbitrary curvature and torsion is carried out. The computations are performed by a numerical approach verified against independent…
Electron-electron interactions in topological p-n junctions consisting of vertically stacked topological insulators are investigated. n-type Bi2Te3 and p-type Sb2Te3 of varying relative thicknesses are deposited using molecular beam epitaxy…
Ferroelectric tunnel junctions (FTJs) have attracted increasing research interest as a promising candidate for non-volatile memories. Recently, significant enhancements of tunneling electroresistance (TER) have been realized through…
Topological Josephson junctions (TJJs) have been a subject of widespread interest due to their hosting of Majorana zero modes. In long junctions, i.e. junctions where the junction length exceeds the superconducting coherence length, TJJs…
Using ab-initio methods we investigate the possibility of three-terminal graphene "T-junction" devices and show that these all-graphene edge contacts are energetically feasible when the 1D interface itself is free from foreign atoms. We…
We construct a class of periodic tilings of the plane, which corresponds to toroidal arrangements of trivalent atoms, with pentagonal, hexagonal and heptagonal rings. Each tiling is characterized by a set of four integers and determines a…