158 citations · 802 across the 16 of their papers we have counts for
16 papers
Pseudopotential Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures: excitonic effects in Al2O3
M. Laura Urquiza, Matteo Gatti, Francesco Sottile
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 o…
All-electron many-body approach to resonant inelastic x-ray scattering
Christian Vorwerk, Francesco Sottile, Claudia Draxl
We present a formalism for the resonant inelastic x-ray scattering (RIXS) cross section. The resulting compact expression in terms of polarizability matrix elements, particularly l…
First-principles study of excitons in the optical spectra of silver chloride
Arnaud Lorin, Matteo Gatti, Lucia Reining +1
Silver chloride is a material that has been investigated and used for many decades. Of particular interest are its optical properties, but only few fundamental theoretical studies…
Excitation Pathways in Resonant Inelastic X-Ray Scattering of Solids
Christian Vorwerk, Francesco Sottile, Claudia Draxl
We present a novel derivation of resonant inelastic x-ray scattering (RIXS) which yields an expression for the RIXS cross section in terms of emission pathways between intermediate…
Excitons in van der Waals materials: from monolayer to bulk hexagonal boron nitride
Jaakko Koskelo, Giorgia Fugallo, Mikko Hakala +3
We present a general picture of the exciton properties of layered materials in terms of the excitations of their single-layer building blocks. To this end, we derive a model excito…
Interpretation of monoclinic hafnia valence electron energy loss spectra by TDDFT
Linda Hung, Cyril Guedj, Nicolas Bernier +3
We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m-HfO) obtained from time-dependent density-functional theory (TDDFT) pre…