252 citations · 552 across the 40 of their papers we have counts for
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Exciting core-level spectroscopy
Claudia Draxl, Caterina Cocchi
We delineate an ab initio approach for obtaining x-ray absorption spectra as provided by many-body perturbation theory, together with its realization within an all-electron framewo…
Predicting ground-state configurations and electronic properties of the thermoelectric clathrates BaAlSi and SrAlSi
Maria Troppenz, Santiago Rigamonti, Claudia Draxl
The structural and electronic properties of the clathrate compounds BaAlSi and SrAlSi are studied from first principles, considering an Al…
Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction
Yannick Gillet, Stefan Kontur, Matteo Giantomassi +2
Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of o…
Understanding effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers
Caterina Cocchi, Claudia Draxl
In a first-principles study based on many-body perturbation theory, we analyze the optical excitations of azobenzene-functionalized SAMs with increasing packing density and differe…
Enhanced Light-Matter Interaction in Graphene/h-BN van der Waals Heterostructures
Wahib Aggoune, Caterina Cocchi, Dmitrii Nabok +3
By investigating the optoelectronic properties of prototypical graphene/hexagonal boron nitride (h-BN) heterostructures, we demonstrate how a nanostructured combination of these ma…