Related papers: Interstitial Electronic Localization
Understanding of bonding is key to modelling materials and predicting properties thereof. A widely adopted indicator of bonds and atomic shells is the electron localization function (ELF). The building blocks of the ELF are also used in the…
The present paper is devoted to the study of a simple model of interacting electrons in a random background. In a large interval $\Lambda$, we consider $n$ one dimensional particles whose evolution is driven by the Luttinger-Sy model, i.e.,…
Graphene antidot lattices have recently been proposed as a new breed of graphene-based superlattice structures. We study electronic properties of triangular antidot lattices, with emphasis on the occurrence of dispersionless (flat) bands…
The electronic structure of the ferroelectric crystal, NaNO$_2$, is studied by means of first-principles, local density calculations. Our ab-initio, non-relativistic calculations employed a local density functional approximation (LDA)…
We study the ground state of $N \gg 1$ noninteracting fermions in a two-dimensional harmonic trap rotating at angular frequency $\Omega>0$. The support of the density of the Fermi gas is a disk of radius $R_e$. We calculate the variance of…
We consider an electron-phonon system in two and three dimensions on square, hexagonal and cubic lattices. The model is a modification of the standard Holstein model where the optical branch is appropriately curved in order to have a…
We consider a system of $N$ hard spheres sitting on the nodes of either the $\mathrm{FCC}$ or $\mathrm{HCP}$ lattice and interacting via a sticky-disk potential. As $N$ tends to infinity (continuum limit), assuming the interaction energy…
We investigate integer and fractional quantum Hall states in quantum point contacts (QPCs) of different geometries, defined in AlGaAs/GaAs heterostructures employing different doping and screening techniques. We find that, even in the…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
The binding energy of an electron in a material is a fundamental characteristic, which determines a wealth of important chemical and physical properties. For metal-organic frameworks this quantity is hitherto unknown. We present a general…
New emergent states of matter in quantum systems may be created under non-equilibrium conditions if - through many body interactions - its constituents order on a timescale which is shorter than the time required for the system to reach…
We determine the wavefunctions of electrons bound to a positively charged mesoscopic metallic cluster covered by an insulating surface layer. The radius of the metal core and the thickness of the insulating surface layer are of the order of…
Isolated dielectric spheres support resonant electromagnetic modes which are analogous to electronic orbitals and, like their electronic counterparts, can form bonding or anti-bonding interactions between neighbouring spheres. By…
We have investigated the local magneto-transport in high-quality 2D electron systems at low carrier densities. The positive magneto-resistance in perpendicular magnetic field in the strongly insulating regime has been measured to evaluate…
In our understanding of solids, the formation of highly spatially coherent electronic states, fundamental to command the quantum behavior of materials, relies on the existence of discrete translational symmetry of the crystalline lattice.…
We present an information-theoretic assessment of atomic and molecular densities in the ground state and under a range of physical scenarios--excitation, confinement, and ensemblization. Comparisons across densities obtained from…
The existence of a system of short-live discrete volume-localized electron quantum levels in positively charged fullerenes is theoretically and numerically demonstrated using the example of fullerenes C60 and C20. Unlike well-studied…
Materials in which electrons occupy interstitial sites as anions are called electrides and exhibit unusual dimensionality-dependent electronic behavior. These properties make electrides attractive for catalysis, transparent conductors, and…
A new variational approach is proposed at zero temperature for a finite density of charge carriers in order to study ground state features of the Frohlich model including electron-electron and electron-phonon interactions. Within the…