Related papers: Simulating STM transport in alkanes from first pri…
The thesis explores calculating tunneling current densities between planar conducting electrodes in an STM. It considers factors like bias voltages and the separation between electrodes, using Fermi energy and work functions. Pauli blocking…
Many-body phenomena are ubiquitous in solids, as electrons interact with one another and the many excitations arising from lattice, magnetic, and electronic degrees of freedom. These interactions can subtly influence the electronic…
Observing the individual building blocks of matter is one of the primary goals of microscopy. The invention of the scanning tunneling microscope [1] revolutionized experimental surface science in that atomic-scale features on a solid-state…
Electronic transport properties through some model quantum systems are re-visited. A simple tight-binding framework is given to describe the systems where all numerical calculations are made using the Green's function formalism. First, we…
We study the local density of states at and around a substituting impurity and use these results to compute current versus bias characteristic curves of Scanning Tunneling Microscopy (STM) experiments done on the surface of graphene. This…
We present ab-initio transport calculations for molecular junctions that include graphene as a protecting layer between a single molecule and gold electrodes. This vertical setup has recently gained significant interest in experiment for…
The conductance of systems containing two tunnel point-contacts and a single subsurface scatterer is investigated theoretically. The problem is solved in the approximation of s-wave scattering giving analytical expressions for the wave…
In transport calculations for molecular junctions based on density functional theory the choice of exchange and correlation functional may dramatically affect the results. In particular local and semi-local functionals tend to…
In this review we present recent theoretical results concerning investigations of single subsurface defects by means of a scanning tunneling microscope (STM). These investigations are based on the effect of quantum interference between the…
Molecules of bisthiolterthiophene have been adsorbed on the two facing gold electrodes of a mechanically controllable break junction in order to form metal-molecule(s)-metal junctions. Current-voltage (I-V) characteristics have been…
Scanning Tunneling Microscopy (STM) enables fabrication of atomically precise structures with unique properties and growing technological potential. However, reproducible manipulation of covalently bonded atoms requires control over the…
We report combined scanning probe microscopy and electrical measurements to investigate local electronic transport in reduced graphene oxide (rGO) devices. We demonstrate that quantum transport in these materials can be significantly tuned…
Mesoscopic conductors are electronic systems of sizes in between nano- and micrometers, and often of reduced dimensionality. In the phase-coherent regime at low temperatures, the conductance of these devices is governed by quantum…
We study thermoelectric properties of the system composed of a monoatomic chain on a surface and additional electrode coupled to the chain, which can be an STM tip. In particular, we are interested in thermopower, electric and thermal…
Scanning tunneling microscopy (STM) images are obtained for the first time on few layer and twisted multilayer epitaxial graphene states synthesized on n+ 6H-SiC a-plane non-polar surface. The twisted graphene is determined to have a…
We introduce a statistical correlation analysis method to obtain information on the local geometry and orientation of the tip used in scanning tunneling microscopy (STM) experiments based on large scale simulations. The key quantity is the…
In this paper we present a method to numerically study transverse Hall conductances using a two-terminal setup. Using nonlinear transport concepts we find that the Hall voltage dependence on the model parameters can be investigated from the…
Recent experiments reveal that a scanning tunneling microscopy (STM) probe tip can generate a highly localized strain field in a graphene drumhead, which in turn leads to pseudomagnetic fields in the graphene that can spatially confine…
We investigate the effects of lateral interactions on the conductance of two molecules connected in parallel to semi-infinite leads. The method we use combines a Green function approach to quantum transport with density functional theory…
We report an intriguing transition from the quantum spin Hall phase to the spin Hall effect upon segregation of thallium adatoms adsorbed onto a graphene surface. Landauer-B\"uttiker and Kubo-Greenwood simulations are used to access both…