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Temperature dependent excitonic effects in the optical properties of single-layer MoS
Alejandro Molina-Sánchez, Maurizia Palummo, Andrea Marini +1
Temperature influences the performance of two-dimensional materials in optoelectronic devices. Indeed, the optical characterization of these materials is usually realized at room t…
Semiempirical pseudopotential approach for nitride-based nanostructures and {\it ab initio} based passivation of free surfaces
Alejandro Molina-Sánchez, Alberto García-Cristóbal, Gabriel Bester
We present a semiempirical pseudopotential method based on screened atomic pseudopotentials and derived from \textit{ab initio} calculations. This approach is motivated by the dema…
Dielectric screening of the Kohn anomaly of graphene on hexagonal boron nitride
F. Forster, A. Molina-Sanchez, S. Engels +5
Kohn anomalies in three-dimensional metallic crystals are dips in the phonon dispersion that are caused by abrupt changes in the screening of the ion-cores by the surrounding elect…