Related papers: Quantifying the interplay between fine structure a…
Topologically non-trivial spin textures, such as skyrmions and dislocations, display emergent electrodynamics and can be moved by spin currents over macroscopic distances. These unique properties and their nanoscale size make them excellent…
Coulomb and spin blockade spectroscopy investigations have been performed on an electrostatically defined ``artificial molecule'' connected to spin polarized leads. The molecule is first effectively reduced to a two-level system by placing…
Spin-polarized scanning tunneling microscopy (SP-STM) experiments on ultrathin films with non-collinear spin textures demonstrate that resonant tunneling allows for atomic-scale spin-sensitive imaging in real space at tip-sample distances…
The surface tunneling microscope (STM) method probes the itinerant conduction electron spectrum which is influenced by the presence of collective order parameters. It may in fact be used as a tool to obtain important information about their…
We explore theoretically the electroluminescence of single molecules. We adopt a local-electrode framework that is appropriate for scanning tunneling microscopy (STM) experiments where electroluminescence originates from individual…
Molecular spin clusters are mesoscopic systems whose structural and physical features can be tailored at the synthetic level. Besides, their quantum behavior is directly accessible in laboratory and their magnetic properties can be…
Some experimental evidences for methane are produced that the simple transition from frequency scanning of nonlinear-optical resonances to magnetic one may be accompanied with transition from sub-Doppler collisionally broadened structure to…
Scanning Tunneling Microscopy (STM) is a powerful technique that utilizes quantum tunneling to visualize atomic surfaces with high precision. This study presents detailed topographic maps and evaluates the local density of states (LDOS) for…
The electron spin g- and hyperfine tensors of the endohedral metallofullerene Sc@C82 are anisotropic. Using electron spin resonance (ESR) and density functional theory (DFT), we can relate their principal axes to the coordinate frame of the…
We report the detection of electron spin resonance (ESR) in individual dimers of the stable free radical 2,2,6,6-tetramethyl-piperidine-1-oxyl (TEMPO). ESR is measured by the current fluctuations in a scanning tunnelling microscope (ESR-STM…
The electronic spectrum of a chemically contacted molecule in the junction of a scanning tunneling microscope can be modified by tip retraction. We analyze this effect by a combination of density functional, many-body perturbation and…
Scanning Tunneling Microscopy (STM) is a cornerstone technique for visualizing the electronic density of states with atomic resolution (typically below 0.1 nm). While the field of view of most STM setups extends up to a few microns,…
Determining the complexity of molecules has important applications from molecular design to understanding the history of the process that led to the formation of the molecule. Currently, it is not possible to experimentally determine,…
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…
Anisotropic magnetoresistance (AMR), originating from spin-orbit coupling (SOC), is the sensitivity of the electrical resistance in magnetic systems to the direction of spin magnetization. Although this phenomenon has been experimentally…
Transmission electron microscopy (TEM) is a potent technique for the determination of three-dimensional atomic scale structure of samples in structural biology and materials science. In structural biology, three-dimensional structures of…
Super-Resolution Microscopy (SRM) is emerging as a powerful and innovative tool for imaging, characterizing, and understanding the structure of Extracellular Vesicles (EVs). By addressing the need for single-particle analysis with the high…
Cryo-electron microscopy can now routinely deliver atomic resolution structures for a variety of biological systems. The relevance and value of these structures is directly related to their ability to help rationalize experimental…
Upcoming high spectral resolution telescopes, particularly Astro-H, are expected to finally deliver firm quantitative constraints on turbulence in the intra-cluster medium (ICM). We develop a new spectral analysis technique which exploits…
This thesis is devoted to ab initio calculations of ground and excited state properties of different systems within density functional theory and time dependent density functional theory. From the numerical point of view we implemented an…