Related papers: Ab initio self-trapped excitons
We solve the Schr\"{o}dinger equation for two electrons plus one hole by writing it in the electron-exciton basis. The main advantage of this basis is to eliminate the exciton contribution from the trion energy in a natural way. The…
An analytical insight into the symmetry breaking mechanisms underlying the transition from Josephson to self-trapping regimes in Bose-Einstein condensates is presented. We obtain expressions for the ground state properties of the system of…
Semiconducting MXenes are an intriguing two-dimensional (2D) material class with promising electronic and optoelectronic properties. Here, we focused on recently prepared Hf-based MXenes, namely Hf$_3$C$_2$O$_2$ and Hf$_2$CO$_2$. Using the…
We investigate the spin-nonconserving relaxation channel of excitons by their couplings with phonons in two-dimensional transition metal dichalcogenides using $\textit{ab initio}$ approaches. Combining $\text{GW}$-Bethe-Salpeter equation…
We use Boltzmann transport equation (BE) to study time evolution of a photo-excited state in a nanoparticle including phonon-mediated exciton relaxation and the multiple exciton generation (MEG) processes, such as exciton-to-biexciton…
We investigate the possibility that the BEC-like phenomena recently detected on two-dimensional finite trapped systems consist of fragmented condensates. We derive and diagonalize the one-body density matrix of a two-dimensional…
Combining the capabilities of gate defined quantum transport devices in GaAs-based heterostructures and of optically addressed self-assembled quantum dots could open broad perspectives for new devices and functionalities. For example,…
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…
Starting from the {\em ab initio} many-body theory of electrons and phonons, we go through a series of well defined simplifications to derive a set of coupled equations of motion for the electronic occupations and polarizations, nuclear…
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,…
In this paper we develop a gapless theory of BEC which can be applied to both trapped and homogeneous gases at zero and finite temperature. The many-body Hamiltonian for the system is written in a form which is approximately quadratic with…
The Bethe-Salpeter equation (BSE) is a reliable model for estimating the absorption spectra in molecules and solids on the basis of accurate calculation of the excited states from first principles. This challenging task includes calculation…
Excitons are electron-hole pairs appearing below the band gap in insulators and semiconductors. They are vital to photovoltaics, but are hard to obtain with time-dependent density-functional theory (TDDFT), since most standard…
An efficient implicit kinetic scheme is developed to solve the stationary phonon Boltzmann transport equation (BTE) based on the non-gray model including the phonon dispersion and polarization. Due to the wide range of the dispersed phonon…
Relaxation processes following light excitation in semiconductors are key in materials-based quantum technology applications. These processes are broadly studied in atomically thin transition metal dichalcogenides (TMDs),…
In semiconductor materials, hot exciton cooling is the process by which highly excited carriers nonradiatively relax to form a band edge exciton. While cooling plays an important role in determining the thermal losses and quantum yield of a…
In the 1960s speculations arose if a ground state exists in solid state materials with an electron and a hole bound to a pair with their spins added to integer values, i.e. excitons. Here we show that electrons and holes in TmSe0.45Te0.55…
The phonon Boltzmann transport equation (BTE) is a powerful tool for studying non-diffusive thermal transport. Here, we develop a new universal variational approach to solving the BTE that enables extraction of phonon mean free path (MFP)…
An asymmetric multi-quantum state magnetic lattice is proposed to host excitons formed in a quantum degenerate gas of ultracold fermionic atoms to simulate Bose-Einstein condensation (BEC) of excitons. A Quasi-two dimensional degenerate gas…
In open quantum systems hosting excitons, dissipation mechanisms critically shape the excitonic dynamics, band-structure and topological properties. A microscopic understanding of excitons in such non-Hermitian settings demands a…