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Trends in the electronic structure of borophene polymorphs
Alam Osorio, Lucia Reining, Francesco Sottile
Borophene is a two-dimensional material made out of boron atoms only. It exhibits polymorphism and different allotropes can be studied in terms of a rigid electronic structure, whe…
Exciton band structure of VO
Vitaly Gorelov, Lucia Reining, Matteo Gatti
Excitonic effects due to the correlation of electrons and holes in excited states of matter dominate the optical spectra of many interesting materials. They are usually studied in…
Robustness of electronic screening effects in electron spectroscopies: example of VO
Vitaly Gorelov, Lucia Reining, Walter R. L. Lambrecht +1
In bulk and low-dimensional extended systems, the screening of excitations by the electron cloud is a key feature governing spectroscopic properties. Widely used computational appr…
Delocalization of dark and bright excitons in flat-band materials and the optical properties of VO
Vitaly Gorelov, Lucia Reining, Martin Feneberg +4
The simplest picture of excitons in materials with atomic-like localization of electrons is that of Frenkel excitons, where electrons and holes stay close together, which is associ…
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…
Cubic BN optical gap and intragap optically active defects
Anna Tararan, Stefano di Sabatino, Matteo Gatti +6
We report a comprehensive study on the optical properties of cubic boron nitride (c-BN) and its optically active defects. Using electron energy-loss spectroscopy (EELS) within a mo…