Related papers: Visualizing improved spin coupling in molecular ma…
Manipulating the way in which colloidal particles self-organise is a central challenge in the design of functional soft materials. Meeting this challenge requires the use of building blocks that interact with one another in a highly…
The detection of vibrational excitations of individual molecules on surfaces by scanning tunneling spectroscopy does not obey strict selection rules but rather propensity rules. The experimental verification of these is challenging because…
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 simplicity of single-molecule junctions based on direct bonding of a small molecule between two metallic electrodes make them an ideal system for the study of fundamental questions related to molecular electronics. Here we study the…
Within local-spin-density functional theory, we have investigated the `dissociation' of few-electron circular vertical semiconductor double quantum ring artificial molecules at zero magnetic field as a function of inter-ring distance. In a…
The low-temperature transport properties of a molecule are studied in the field-effect transitor geometry. The molecule has an internal mechanical mode that modulates its electronic levels and renormalizes both the interactions and the…
Self-assembled optically active quantum dot molecules (QDMs) allow the creation of protected qubits via singlet-triplet spin states. The qubit energy splitting of these states is defined by the tunnel coupling strength and is, therefore,…
The simulation of intrinsic contributions to molecular properties holds the potential to allow for chemistry to be directly inferred from changes to electronic structures at the atomic level. In the present study, we demonstrate how such…
Coherent control of individual molecular spins in nano-devices is a pivotal prerequisite for fulfilling the potential promised by molecular spintronics. By applying electric field pulses during time-resolved electron spin resonance…
We study the behavior of the magnetization and the magnetic susceptibility of molecular magnets with complex bridging structure. Our computations are based on a post-Hartree-Fock method accounting for the intricate network of interatomic…
We propose a method to determine the direction of surface magnetization and local magnetic moments on the atomic scale. The method comprises high resolution scanning tunneling microscope experiments in conjunction with first principles…
Understanding the intermolecular interactions and utilize these interactions to effectively control the transport behavior of single molecule is the key step from single molecule device to molecular circuits1-6. Although many single…
We employ the density functional Kohn-Sham method in the local spin-density approximation to study the electronic structure and magnetism of quasi one-dimensional periodic arrays of few-electron quantum dots. At small values of the lattice…
Advances in molecular spintronics rely on the in-depth characterization of the molecular building blocks in terms of their electronic and, more importantly, magnetic properties. For this purpose, inert substrates that interact only weakly…
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…
Magnetic molecules possess a high potential as building blocks for the design of spintronic devices. Moreover, the use of molecular materials opens the way for the controlled use of bottom-up, e.g. supramolecular, processing techniques…
Surface based geometries of microfabricated wires or patterned magnetic films can be used to magnetically trap and manipulate ultracold neutral atoms or Bose-Einstein condensates. We investigate the magnetic properties of such atom chips…
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 study the quantum dynamics of a system consisting of a magnetic molecule placed on a microcantilever. The amplitude and frequencies of the coupled magneto-mechanical oscillations are computed. Parameter-free theory shows that the…
The characterization and manipulation of deposited magnetic clusters or molecules on surfaces is a prerequisite for their future utilization. In recent years techniques like spin-flip inelastic electron tunneling spectroscopy using a…