Related papers: Optical saturation driven by exciton confinement i…
Large exciton-polariton optical nonlinearities present a key mechanism for photonics-based communication, ultimately in the quantum regime. Enhanced nonlinear response from various materials hosting excitons and allowing for their strong…
Time-dependent density-functional theory (TDDFT) often successfully reproduces excitation energies of finite systems, already in the adiabatic local-density approximation (ALDA). Here we show for prototypical molecular materials, i.e.,…
We show that the analytic structure of the dynamical xc kernels of semiconductors and insulators can be sensed in terms of its poles which mark physically relevant frequencies of the system where the counter-phase motion of discrete…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
Understanding the properties of electronic transport across metal-molecule interfaces is of central importance for controlling a large variety of molecular-based devices such as organic light emitting diodes, nanoscale organic spin-valves…
The optoelectronic and excitonic properties in a series of linear acenes (naphthalene up to heptacene) are investigated using range-separated methods within time-dependent density functional theory (TDDFT). In these rather simple systems,…
Recent experiments have demonstrated strong light-matter coupling between electromagnetic nanoresonators and pristine sheets of two-dimensional semiconductors, and it has been speculated whether these systems can enter the quantum regime…
Two-dimensional polymers (2DPs) and their layer-stacked covalent organic frameworks (2D COFs) offer modular, atomically precise platforms for organic optoelectronics, yet their photoconductive responses remain fundamentally constrained by…
We investigate the description of excitonic effects within time-dependent density-functional theory (TDDFT). The exchange-correlation kernel f_xc introduced in TDDFT allows a clear separation of quasiparticle and excitonic effects. Using a…
Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure to modify chemical properties. Here we…
Polaritonic chemistry exploits strong light-matter coupling between molecules and confined electromagnetic field modes to enable new chemical reactivities. In systems displaying this functionality, the choice of the cavity determines both…
We discuss coherent exciton-polariton states in long molecular chains that are formed due to the interaction of molecular excitations with both vacuum photons and surface excitations of the neighboring reflecting substrate. The resonance…
As part of a project to obtain better optical response functions for nano materials and other systems with strong excitonic effects we here calculate the exchange-correlation (XC) potential of density-functional theory (DFT) at a level of…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
Excitons are neutral excitations that are composed of electrons and holes bound together by their attractive Coulomb interaction. The electron and the hole forming the exciton also interact with the underlying atomic lattice, and this…
We study the magneto-photoluminescence of an optically trapped exciton-polariton condensate in a planar semiconductor microcavity with multiple In0.08Ga0.92As quantum wells. Extremely high condensate coherence time and continuous control…
Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation (xc) kernels behaving as $-1/k^{2}$ to leading order. We…
Strong light--matter interactions forming hybrid quasiparticles termed polaritons can specifically tailor molecular photophysics. In this spirit, enhancing energy transport has recently been of special interest. Exciton--exciton…
We use data on the deep inelastic structure function F_2 in order to constrain the cross-section for scattering a colour dipole off a proton. The data seem to prefer parameterisations which include saturation effects. That is they indicate…
In this work, we systematically investigate the spectral and transport properties of exciton-polaritons under the explicit influence of intermolecular vibrational coupling, which introduces dynamic disorder. In the context of a…