Related papers: Excitonic effects in solids described by time-depe…
We consider an analytically solvable model of two interacting electrons that allows for the calculation of the exact exchange-correlation kernel of time-dependent density functional theory. This kernel, as well as the corresponding density…
The question of macroscopic occupation and spontaneous emergence of coherence for exciton ensembles has gained renewed attention due to the rise of van der Waals heterostructures made of atomically thin semiconductors. The hosted interlayer…
Motivated by the possibility of pressure-induced exciton condensation in intermediate-valence Tm[Se,Te] compounds we study the Falicov-Kimball model extended by a finite f-hole valence bandwidth. Calculating the Frenkel-type exciton…
Quantum interference between one- and two-photon absorption pathways allows coherent control of interband transitions in unbiased bulk semiconductors; carrier population, carrier spin polarization, photocurrent injection, and spin current…
Although semiconductor Bloch equations have been widely used for decades to address ultrafast optical phenomena in semiconductors, they have a few important drawbacks: (i) Coulomb terms between free electron-hole pairs require Hartree-Fock…
The optical properties of bulk ZrSiS nodal-line semimetal are theoretically studied within a many-body formalism. The G0W0 bands are similar to those calculated within the density functional theory, except near the {\Gamma} point; in…
Time-dependent density functional theory (TDDFT) within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the…
The asymmetric Hubbard dimer is used to study the density-dependence of the exact frequency-dependent kernel of linear-response time-dependent density functional theory. The exact form of the kernel is given, and the limitations of the…
The region surrounding the excitonic insulator phase is a three-component plasma composed of electrons, holes, and excitons. Due to the extended nature of the excitons, their presence influences the surrounding electrons and holes. We…
Excitonic insulator remains elusive and there has been a lack of reliable identification methods. In this work, we demonstrate the promise of topological excitonic insulators for identification due to their unique bulk-edge correspondence,…
An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…
The electron-electron Coulomb interaction in Dirac-Weyl semimetals harbours a novel paradigm of correlation effects that hybridizes diverse realms of solid-state physics with their relativistic counterpart. Driving spontaneous mass…
It is shown that the errors of present-day exchange-correlation (xc) functionals are rather short ranged. For extended systems the correction can therefore be evaluated by analyzing properly chosen clusters and employing highest-quality…
Excitons, Coulomb-bound electron-hole pairs, are the fundamental excitations governing the optoelectronic properties of semiconductors. While optical signatures of excitons have been studied extensively, experimental access to the excitonic…
Excitons consist of electrons and holes held together by their attractive Coulomb interaction. Although excitons are neutral excitations, spatial fluctuations in their charge density couple with the ions of the crystal lattice. This…
The most accurate theoretical method to describe excitons is the solution of the Bethe-Salpeter equation in the GW approximation (GW-BSE). However, because of its computation cost, time-dependent density functional theory (TDDFT) is…
We extend the density-functional theory for superconductors (SCDFT) to take account of the dynamical structure of the screened Coulomb interaction. We construct an exchange-correlation kernel in the SCDFT gap equation on the basis of the…
We present a unified description of the excitonic properties of four monolayer transition-metal dichalcogenides (TMDC's) using an equation of motion method for deriving the Bethe-Salpeter equation in momentum space. Our method is able to…
The exciton-exciton effective scattering which rules the time evolution of two excitons is studied as a function of initial momentum difference, scattering angle and electron-to-hole mass ratio. We show that this effective scattering can…
We apply the coupled dynamics of time-dependent density functional theory and Maxwell equations to the interaction of intense laser pulses with crystalline silicon. As a function of electromagnetic field intensity, we see several regions in…