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High-harmonic generation (HHG) in the two topological phases of a finite, one-dimensional, periodic structure is investigated using a self-consistent time-dependent density functional theory (TDDFT) approach. For harmonic photon energies…
We study the eigenspectrum properties of a one-dimensional molecular chain composed of hexagonal unit cells. The system features two alternating hopping parameters, resulting in a rich energy spectrum with both dispersive and flat bands. By…
A simple and commonly employed approximate technique with which one can examine spatially disordered systems when strong electronic correlations are present is based on the use of real-space unrestricted self-consistent Hartree-Fock wave…
Recent experiments on few-layer graphene structures have reported indirect signatures of anomalous Hall crystals (AHCs), but the need for a top gate to stabilize the phase precludes direct imaging of the emergent electronic lattice. This…
A nitridation annealing process is well employed to reduce interface trap states that degrade the channel mobility of 4H-SiC/SiO${}_2$ metal-oxide-semiconductor field-effect transistor. In recent experiments, the existence of high N-atom…
A method for the calculation of the electronic structure of pyramidal self-assembled InAs/GaAs quantum dots is presented. The method is based on exploiting the exact $\bar{C}_{4}$ symmetry of the 8-band $k\cdot p$ Hamiltonian with the…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
We present an ab initio study of core excitations of solid-state materials focussing on the role of electron-hole correlation. In the framework of an all-electron implementation of many-body perturbation theory into the exciting code, we…
It has been generally accepted that the threshold structure observed in the oxygen K edge X-ray absorption spectrum in 3d transition metal oxides represents the electronic structure of the 3d transition metal. There is, however, no…
Accurate and fast treatment of electron-electron interactions remains a central challenge in electronic structure theory because post-Hartree-Fock methods often suffered from the computational cost for 4-index electron repulsion integrals…
We consider the Su-Schrieffer-Heeger (SSH) chain, which has 0, 1, or 2 topological edge states depending on the ratio of the hopping parameters and the parity of the chain length. We couple a qubit to one edge of the SSH chain and a…
This is extended version of a previously submitted paper, in which special solutions of the Hartree-Fock (HF) problem for Coulomb interacting electrons, being described by a simple model of the Cu-O planes in La2CuO4, are presented. One of…
Motivated by recent observations of fractional Chern insulators (FCIs) in the vicinity of superconducting (SC) phases, we study fractional quantum (anomalous) Hall-superconductor heterostructures in the presence of $U(1)$ order-parameter…
We consider the trial wavefunctions for the Fractional Quantum Hall Effect (FQHE) that are given by conformal blocks, and construct their associated edge excited states in full generality. The inner products between these edge states are…
We consider manifestations of topological order in time-reversal-symmetric fractional topological liquids (TRS-FTLs), defined on planar surfaces with holes. We derive a formula for the topological ground state degeneracy of such a TRS-FTL,…
The few-body problem for $N=4$ fermionic charge carriers in a double-well moir\'{e} quantum dot (MQD), representing the first step in a bottom-up strategy to investigate formation of molecular supercrystals in transition metal…
The system of spinless fermions on a hexagonal lattice is studied . We have considered tight-binding model with the hopping integrals between the nearest-neighbor and next-nearest-neighbor lattice sites, that depend on the direction of the…
Two-dimensional higher-order topological insulators can display a number of exotic phenomena such as half-integer charges localized at corners or disclination defects. In this paper, we analyze these phenomena, focusing on the paradigmatic…
We propose a network-model realization of magnetic higher-order topological phases (HOTPs) in the presence of the combined space-time symmetry $C_4\mathcal{T}$ -- the product of a fourfold rotation and time-reversal symmetry. We show that…
Quantum wells formed by layers of HgTe between Hg$_{1-x}$Cd$_x$Te barriers lead to two-dimensional (2D) topological insulators, as predicted by the BHZ model. Here, we theoretically and experimentally investigate the characteristics of…