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We present a theoretical study of the electronic structures of freestanding nanowires made from gallium phosphide (GaP)--a III-V semiconductor with an indirect bulk bandgap. We consider [001]-oriented GaP nanowires with square and…
We study the ordered "excitonic" states which develop around the quantum critical point (QCP) associated with the electronic topological transition (ETT) in a 2D electron system on a square lattice. We consider the case of hopping beyond…
Some popular mechanisms for restricting the diffusion of waves include introducing disorder (to provoke Anderson localization) and engineering topologically non-trivial phases (to allow for topological edge states to form). However, other…
We theoretically studied the quasiparticle transport in a 2D electron gas biased in the quantum Hall regime and in the presence of a lateral potential barrier. The lateral junction hosts the specific magnetic field dependent quasiparticle…
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 analyse theoretically the possibilities of contactless control of in-gap states formed by a pair of electrons confined in a triangular quantum ring. The in-gap states are corner-localized states associated with two electrons occupying…
We theoretically investigate correlated electron-hole states in vertically coupled quantum dots. Employing a prototypical double-dot confinement and a configuration-interaction description for the electron-hole states, it is shown that the…
We apply wave packet methods to study an ion-trap system in the strong excitation regime imposing neither the rotating wave nor the Lamb-Dicke approximations. By this approach we show the existence of states with restricted phase space…
We investigate the relationship between the gap between the energy of the ground state and the first excited state and the decay of correlation functions in harmonic lattice systems. We prove that in gapped systems, the exponential decay of…
We report on a theoretical study of the electronic structures of the [111]-oriented, free-standing, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic $sp^{3}s^{*} $, spin-orbit interaction included,…
A new type of states in graphene-based planar heterojunctions has been studied in the envelope wave function approximation. The condition for the formation of these states is the intersection between the dispersion curves of graphene and…
We have used time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy…
Electronic band structures in hydrogenated graphene are theoretically investigated by means of first-principle calculations and an effective tight-binding model. It is shown that regularly designed hydrogenation to graphene gives rise to a…
State-specific electronic structure theory provides a route towards balanced excited-state wave functions by exploiting higher-energy stationary points of the electronic energy. Multiconfigurational wave function approximations can describe…
Moir\'e systems featuring flat electronic bands exhibit a vast landscape of emergent exotic quantum states, making them one of the resourceful platforms in condensed matter physics in recent times. Tuning these systems via twist angle and…
A set of density functionals coming from different rungs on Jacob's ladder are employed to evaluate the electronic excited states of three Ru(II) complexes. While most studies on the performance of density functionals compare the vertical…
Graph states are versatile resources for quantum computation and quantum-enhanced measurement. Their generation illustrates a high level of control over entanglement. We report on the generation of continuous-variable graph states of atomic…
We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…
State-specific approximations can provide an accurate representation of challenging electronic excitations by enabling relaxation of the electron density. While state-specific wave functions are known to be local minima or saddle points of…
We study spontaneous emission in an atomic ladder system, with both transitions coupled near-resonantly to the edge of a photonic band gap continuum. The problem is solved through a recently developed technique and leads to the formation of…