From the 1 of 19 linked papers with an AI index.
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Ultrafast dynamic Coulomb screening of X-ray core excitons in photoexcited semiconductors
Thomas C. Rossi, Lu Qiao, Conner P. Dykstra +15
Ultrafast X-ray spectroscopy has been revolutionized in recent years due to the advent of fourth-generation X-ray facilities. In solid-state materials, core excitons determine the…
Precision benchmarks for solids: G0W0 calculations with different basis sets
Maryam Azizi, Francisco A. Delesma, Matteo Giantomassi +10
The GW approximation within many-body perturbation theory is the state of the art for computing quasiparticle energies in solids. Typically, Kohn-Sham (KS) eigenvalues and eigenfun…
Hybrid Frenkel-Wannier excitons facilitate ultrafast energy transfer at a 2D-organic interface
Wiebke Bennecke, Ignacio Gonzalez Oliva, Jan Philipp Bange +13
Two-dimensional transition metal dichalcogenides (TMDs) and organic semiconductors (OSCs) have emerged as promising material platforms for next-generation optoelectronic devices. T…
Phonon-mediated renormalization of exciton energies and absorption spectra in polar semiconductors
Maximilian Schebek, Pasquale Pavone, Claudia Draxl +1
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 Be…
Decoupling Many-Body Interactions in CeO2 (111) Oxygen Vacancy Structure: Insights from Machine-Learning and Cluster Expansion
Yujing Zhang, Zhong-Kang Han, Beien Zhu +7
Oxygen vacancies (VO's) are of paramount importance in influencing the properties and applications of ceria (CeO2). Yet, comprehending the distribution and nature of the VO's poses…
Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation
Lukas Gierster, Olga Turkina, Jan-Christoph Deinert +6
Organic/inorganic hybrid systems offer great potential for novel solar cell design combining the tunability of organic chromophore absorption properties with high charge carrier mo…