Related papers: Ab initio self-trapped excitons
Excitons -- two-particle correlated electron-hole pairs -- are the dominant low-energy optical excitation in the broad class of semiconductor materials, which range from classical silicon to perovskites, and from two-dimensional to organic…
We use a local model to study the formation and the structure of the low energy charge transfer excitations in the insulating Cu-O$_2$ plane. The elementary excitation is a bound exciton of spin singlet, consisting of a Cu$^+$ and a…
Two-dimensional stacking fault defects embedded in a bulk crystal can provide a homogeneous trapping potential for carriers and excitons. Here we utilize state-of-the-art structural imaging coupled with density functional and effective-mass…
We describe a new approach to compute the electron-phonon self-energy and carrier mobilities in semiconductors. Our implementation does not require a localized basis set to interpolate the electron-phonon matrix elements, with the advantage…
We present a new method to solve the dynamical Bethe-Salpeter Equation numerically. The method allows one to investigate the effects of dynamical dielectric screening on the spectral position of excitons in transition-metal dichalcogenide…
We investigate the influence of vibrational screening on the excitonic and optical properties of solids based on first-principles electronic-structure calculations. We solve the Bethe-Salpeter equation - the state-of-the-art description of…
We consider in-plane electrostatic traps for indirect excitons in coupled quantum wells, where the traps are formed by a laterally modulated gate voltage. An intrinsic obstacle for exciton confinement in electrostatic traps is an in-plane…
Excitons are electron-hole (e-h) pair quasiparticles, which may form a Bose-Einstein condensate (BEC) and collapse into the phase coherent state at low temperature. However, because of ephemeral strength of pairing, a clear evidence for BEC…
We present an ab initio description of optical and shallow-core x-ray absorption spectroscopies in a unified formalism based on the pseudopotential plane-wave method at the level of the Bethe-Salpeter equation (BSE) within Green's functions…
The Bethe-Salpeter Equation (BSE) can be applied to compute from first-principles optical spectra that include the effects of screened electron-hole interactions. As input, BSE calculations require single-particle states, quasiparticle…
We experimentally demonstrate a multi-mode interferometer comprising a Bose-Einstein condensate of $^{39}$K atoms trapped in a harmonic potential, where the interatomic interaction can be cancelled exploiting Feshbach resonances.…
By using \textit{ab initio} calculations with the HSE06 hybrid functional and GW approximation combined with numerical solution of the Bethe Salpeter equation (GW-BSE) we predict the existence of diverse number of excitonic states in…
The self-trapping phenomenon of Bose-Einstein condensates (BECs) in optical lattices is studied extensively by numerically solving the Gross-Pitaevskii equation. Our numerical results not only reproduce the phenomenon that was observed in a…
Van der Waals heterostructures of two-dimensional transition metal dichalcogenides provide a unique platform to engineer optoelectronic devices tuning their optical properties via stacking, twisting, or straining. Using ab initio Many-Body…
A time-dependent formulation for electron-hole excitations in extended finite systems, based on the Bethe-Salpeter equation (BSE), is developed using a stochastic wave function approach. The time-dependent formulation builds on the…
The excitonic insulator (EI) is a Bose-Einstein condensation (BEC) of excitons bound by electron-hole interaction in a solid, which could support high-temperature BEC transition. The material realization of EI has been elusive, which is…
Electron-phonon and exciton-phonon interactions in nanoclusters are formulated and computed under the framework of GW-BSE (Bethe-Salpeter equation) approach. The phonon effect is modeled with the two-particle representation for the first…
We investigate spatiotemporal chaos in Bose-Einstein condensate (BEC) confined by a 1D harmonic trap using Gross-Pitaevskii equation simulations. The chaos arises from nonlinear mixing of ground and excited states, confirmed by positive…
We investigate exciton confinement to a quantum wire in monolayer $\text{MoSe}_2$ where the confinement is achieved by a p-i-n junction. We employ an effective-mass exciton model and solve the problem numerically, reflecting device…
We employ five {\pi}-conjugated model materials of different molecular shape --- oligomers and cyclic structures --- to investigate the extent of exciton self-trapping and torsional motion of the molecular framework following optical…