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Screening of electron-phonon coupling in graphene on Ir(111)
M. Endlich, A. Molina-Sánchez, L. Wirtz +1
The phonon dispersion of graphene on Ir(111) has been determined by means of angle-resolved inelastic electron scattering and density functional calculations. Kohn anomalies of the…
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…
Effect of spin-orbit interaction on the excitonic effects in single-layer, double-layer, and bulk MoS2
Alejandro Molina-Sánchez, Davide Sangalli, Kerstin Hummer +2
We present converged ab-initio calculations of the optical absorption spectra of single-layer, bi-layer, and bulk MoS. Both the quasiparticle-energy calculations (on the level…