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The electronic properties of graphene can be modified by the local interaction with a selected metal substrate. To probe this effect, Scanning Tunneling Microscopy is widely employed, particularly by means of local measurement via lock-in…
We present a new semi-empirical model for calculating electron transport in atomic-scale devices. The model is an extension of the Extended H\"uckel method with a self-consistent Hartree potential. This potential models the effect of an…
We investigate electron transport through a mono-atomic wire which is tunnel coupled to two electrodes and also to the underlying substrate. The setup is modeled by a tight-binding Hamiltonian and can be realized with a scanning tunnel…
The interpretation of experimental spatially resolved scanning tunneling spectroscopy (STS) maps of close-shell molecules on surfaces is usually interpreted within the framework of oneelectron molecular orbitals. Although this standard…
The plasmonic tip of a scanning tunnelling microscope (STM) is functionalized with a single fluorescent molecule and is scanned on a plasmonic substrate. The tunneling current flowing through the tip-molecule-substrate junction generates a…
Using a scanning tunneling microscope we have measured the quantum conductance through a PTCDA molecule for different configurations of the tip-molecule-surface junction. A peculiar conductance resonance arises at the Fermi level for…
A simple expression for the conductance steps in the inelastic electron tunneling from spin excitations in a single magnetic atom adsorbed on a non-magnetic metal surfaces is derived. The inelastic coupling between the tunneling electron…
In this study, sub-angstrom spatial resolution is achieved in mapping and spectroscopy of atoms and bonds within polygonal grain boundaries (GBs) of graphite using Scanning Tunneling Microscopy (STM). Robust van Hove singularities (VHS) are…
With the objective to understand microscopic principles governing thermal energy flow in nanojunctions, we study phononic heat transport through metal-molecule-metal junctions using classical molecular dynamics (MD) simulations. Considering…
An electron transport is studied in the system which consists of scanning tunneling microscopy-single molecule magnet-metal. Due to quantum tunneling of magnetization in single-molecule magnet, linear response conductance exhibits stepwise…
Motivated by the transmission of topological surface states through atomic scale steps, we study the transport of gapless Dirac fermions on hyperbolic surfaces. We confirm that, independent of the curvature of the hyperbolae and the…
Scanning tunneling microscopy (STM) and micro-electromechanical systems (MEMS) have traditionally addressed vastly different length scales - one resolving atoms, the other engineering macroscopic motion. Here we unite these two fields to…
Theoretical understanding of scanning tunnelling microscope (STM) measurements involve electronic structure details of the STM tip and the sample being measured. Conventionally, the focus has been on the accuracy of the electronic state…
Electronic transport characteristics through a single phenalenyl molecule sandwiched between two metallic electrodes are investigated by the use of Green's function technique. A parametric approach, based on the tight-binding model, is used…
The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics (MD). Whereas the STM provides atomically resolved information about the surface…
We report on a fully nonequilibrium theory of the scanning tunneling microscopy (STM) through resonances induced by impurity atoms adsorbed on metal surfaces. The theory takes into account the effect of the tunneling current and finite bias…
We present a theoretical study of spin-dependent transport through molecular wires bridging ferromagnetic metal nanocontacts. We extend to magnetic systems a recently proposed model that provides a em quantitative explanation of the…
On the spin-valve-like ferromagnet/spin glass/ferromagnet (FM/SG/FM) structure, the tunneling current is dominated by resistance switch (RS) instead of the local density of states according to the conventional tunneling theory. Here we show…
We consider a scanning tunneling microscope (STM) such that tunneling occurs through two atomically sharp protrusions on its tip. When the two protrusions are separated by at least several atomic spacings, the differential conductance of…
We present a robust but still efficient simulation approach for high-resolution scanning tunneling microscopy with a flexible tip apex showing sharp submolecular features. The approach takes into account the electronic structure of sample…