Related papers: Maximally-Localized Exciton Wannier Functions for …
The bound electron-hole pairs known as excitons govern the optical properties of insulating solids. While their behavior in equilibrium is well-understood theoretically, the nonequilibrium regime at high excitation densities-where phenomena…
This paper presents a possible explanation for the enhanced singlet exciton yield in light emitting polymers. We propose a theory of electron-hole recombination via inter-molecular inter-conversion from inter-molecular weakly bound polaron…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…
Strong Coulomb interactions can drive electrons to crystallize into a Wigner lattice. Achieving the bosonic analogue - a crystal of excitons - has remained elusive due to their short lifetimes and weaker interactions. Here, we report the…
Maximally localized Wannier functions are localized orthogonal functions that can accurately represent given Bloch eigenstates of a periodic system at a low computational cost, thanks to the small size of each orbital. Tight-binding models…
Calculations combining first-principles electron-phonon ($e$-ph) interactions with the Boltzmann equation enable studies of ultrafast carrier and phonon dynamics. However, in materials with weak Coulomb screening, electrons and holes form…
Bilayer electron-hole systems, where the electrons and holes are created via doping and confined to separate layers, undergo excitonic condensation when the distance between the layers is smaller than typical distance between particles…
Moire superlattices in van der Waals (vdW) heterostructures could trap strongly bonded and long lived interlayer excitons. Assumed to be localized, these moire excitons could form ordered quantum dot arrays, paving the way for novel…
The exponential localization of Wannier functions in two or three dimensions is proven for all insulators that display time-reversal symmetry, settling a long-standing conjecture. Our proof relies on the equivalence between the existence of…
Coupling between exciton states across the Brillouin zone in monolayer transition metal dichalcogenides can lead to ultrafast valley depolarization. Using time- and angle-resolved photoemission, we present momentum- and energy-resolved…
Excitons, Coulomb-bound electron-hole pairs, play a fundamental role in both optical excitation and correlated phenomena in solids. When an exciton interacts with other quasi-particles, few- and many-body excited states, such as trions,…
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…
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent formulation, we use Wannier functions…
We investigate the electronic structure of over-coordinated defects in amorphous silicon via density-functional total-energy calculations, with the aim of understanding the relationship between topological and electronic properties on a…
We formulated an effective theory for a single interlayer exciton in a bilayer quantum antiferromagnet, in the limit that the holon and doublon are strongly bound onto one interlayer rung by the Coulomb force. Upon using a rung linear spin…
Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By…
An exciton theory for quasi-one dimensional organic materials is developed in the framework of the Su-Schrieffer-Heeger Hamiltonian augmented by short range extended Hubbard interactions. Within a strong electron-electron correlation…
Moir\'e superlattices of transition-metal dichalcogenides (TMDs) host strongly interacting Bose-Fermi mixtures in which bosonic excitons coexist with correlated electron lattices. Using ultrafast, time- and energy-resolved photoluminescence…
Coupled two-dimensional electron-hole bilayers provide a unique platform to study strongly correlated Bose-Fermi mixtures in condensed matter. Electrons and holes in spatially separated layers can bind to form interlayer excitons, composite…
Monolayer transition-metal dichalcogenides (TMDs) provide a platform for realizing Wigner crystals and enable their detection via exciton spectroscopy. We develop a microscopic theoretical model for excitons interacting with the localized…