Related papers: Electronic Structure of Dangling Bonds in Amorphou…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
Charge and spin density distributions are studied within a nano-ring structure endowed with Rashba and Dresselhaus spin orbit coupling (SOI). For a small number of interacting electrons, in the presence of an external magnetic field, the…
It has long been anticipated that the ultimate in miniature circuitry will be crafted of single atoms. Despite many advances made in scanned probe microscopy studies of molecules and atoms on surfaces, challenges with patterning and limited…
We show that a discrete tight-binding model representing either a random or a quasiperiodic array of bonds, can have the entire energy spectrum or a substantial part of it absolutely continuous, populated by extended eigenfunctions only,…
We present the results of an extensive study of the phase diagram and spin wave excitations for a general spin model on a hexagonal AB-stacked kagome system. The boundaries of the magnetic phases are determined via a combination of…
The influence of a chemically or electrically heterogeneous distribution of interaction sites at a planar substrate on the number density of an adjacent fluid is studied by means of classical density functional theory (DFT). In the case of…
We have calculated electron spin interactions in chains of Sc@C82 endohedral fullerenes in isolation and inserted into a semiconducting or metallic single-walled carbon nanotube to form a peapod. Using hybrid density functional theory…
We study the general quantum Hamiltonian that can be realized with two species of mutually interacting degenerate ultracold atoms in a ring-shaped trap, with the options of rotation and an azimuthal lattice. We examine the spectrum and the…
Si dangling bonds without H termination at the interface of quasi-free standing monolayer graphene (QFMLG) are known scattering centers that can severely affect carrier mobility. In this report, we study the atomic and electronic structure…
At low temperatures, dynamics in amorphous silicon occurs through a sequence of discrete activated events that locally reorganize the topological network. Using the activation-relaxation technique, a data base containing over 8000 such…
Topological effects of a spiral dislocation on an electron are investigated when it is confined to a hard-wall confining potential. Besides, it is analysed the influence of the topology of the spiral dislocation on the interaction of the…
Short dangling bond wires (DB wires), fabricated on H-terminated Si(001) surfaces, show patterns of displacement that depend on their length. We have performed density function calculations, with and without spin-polarisation, designed to…
We derive from first principles the existence of a low-frequency plasmon in a strongly coupled three-dimensional homogeneous electron gas (HEG). From its dispersion and its satisfaction of the 3rd frequency sum rule we identify it with the…
We investigate the ground-state properties of triangular graphene nanoflakes with zigzag edge configurations. The description of zero-dimensional nanostructures requires accurate many-body techniques since the widely used density-functional…
We investigate hyperfine induced electron spin and entanglement dynamics in a system of two quantum dot spin qubits. We focus on the situation of zero external magnetic field and concentrate on approximation-free theoretical methods. We…
An investigation on the properties of electronic states of a tight-binding Hamiltonian on the Apollonian network is presented. This structure, which is defined based on the Apollonian packing problem, has been explored both as a complex…
Treating Coulomb scattering of two free electrons in a stationary approach, we explore the momentum and spin entanglement created by the interaction. We show that a particular discretisation provides an estimate of the von Neumann entropy…
A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…
We model a spin-phase transition in a two-dimensional square array, or a lateral superlattice, of quantum rings in an external perpendicular homogeneous magnetic field. The electron system is placed in a circular cylindrical far-infrared…
We perform the quantitative evaluation of the entanglement dynamics in scattering events between two insistinguishable electrons interacting via Coulomb potential in 1D and 2D semiconductor nanostructures. We apply a criterion based on the…