相关论文: Orbital dependent electron tunneling within the at…
We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel-Kramers-Brillouin (WKB) atom-superposition approach to simulate spin-polarized scanning tunneling microscopy (SP-STM) above…
We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel-Kramers-Brillouin (WKB) atom-superposition approach for simulating scanning tunneling microscopy (STM) by including arbitrary tip…
On the occasion of its 25th anniversary, we revise Chen's derivative rule for electron tunneling [C.J. Chen, Phys. Rev. B 42, 8841 (1990)] for the purpose of computationally efficient simulations of scanning tunneling microscopy (STM) based…
We present a method capable of calculating elastic scanning tunneling microscopy (STM) currents from localized atomic orbital density functional theory (DFT). To overcome the poor accuracy of the localized orbital description of the wave…
We propose an atom-superposition-based method for simulating spin-polarized scanning tunneling microscopy (SP-STM) from first principles. Our approach provides bias dependent STM images in high spatial resolution, with the capability of…
This work is concerned with the theoretical description of the contrast, i.e., the apparent height difference between two lateral surface positions on constant current spin-polarized scanning tunneling microscopy (SP-STM) images. We propose…
Based on Bardeen's perturbative approach to tunneling, we have found an expression for the current between tip and sample, which can be efficiently coded in order to perform fast ab initio simulations of STM images. Under the observation…
We have used a low-temperature scanning tunneling microscope (STM) to study the surface of heavily doped semiconductor InAs crystals. The crystals are cleaved in situ along the (110) plane. Apart from atomically flat areas, we also observe…
We employ spin-polarized (SP) STM to study the spin-dependent tunneling between a magnetite (111) sample and an antiferromagnetic tip through a vacuum barrier at room temperature. Atomic scale STM images show significant magnetic contrast…
The Planar Model of the Electrode-Vacuum-Electrode configuration for STM in which electrode surfaces are assumed to be infinite parallel planes, with atomic size separation and vacuum between them, is used to calculate tunneling current…
Scanning tunneling spectroscopy (STS) allows to image single molecules decoupled from the supporting substrate. The obtained images are routinely interpreted as the square moduli of molecular orbitals, dressed by the mean-field…
We discuss how variations in the scanning tunneling microscope (STM) tip, whether unintentional or intentional, can lead to changes in topographic images and dI/dV spectra. We consider the possibility of utilizing functionalized tips in…
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…
Scanning tunneling microscopy using a CO-functionalized tip is combined with simulations to explore the impact of the CO tilt angle on topographies of a single Cu atom and CO molecule adsorbed on Cu(111). Images of the Cu atom acquired with…
We introduce a method for a combined calculation of charge and vector spin transport of elastically tunneling electrons in magnetic scanning tunneling microscopy (STM). The method is based on the three-dimensional Wentzel-Kramers-Brillouin…
We present a very efficient and accurate method to simulate scanning tunneling microscopy images and spectra from first-principles density functional calculations. The wave-functions of the tip and sample are calculated separately on the…
Scanning tunneling microscopy (STM) has been a fundamental tool to characterize many-body effects in condensed matter systems, from extended solids to quantum dots. STM of molecules decoupled from the supporting conductive substrate has the…
The technique of spin-polarized scanning tunneling microscopy is investigated for its use in determining fine details of surface magnetic structure down to the atomic scale. As a model sample, the row-wise anti-ferromagnetic Mn3N2(010)…
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 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…