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This thesis deals with the excited-states dynamics of molecules beyond the Bon-Oppenheimer approximation (nonadiabatic dynamics). The nuclei were always treated with classical mechanics while the electrons were treated quantum mechanically, using linear-re ...
Metals containing cerium exhibit a diverse range of fascinating phenomena including heavy fermion behavior, quantum criticality, and novel states of matter such as unconventional superconductivity. The cubic system CeIn3 has attracted significant attention ...
We report measurements of Shubnikov-de Haas oscillations in the giant Rashba semiconductor BiTeCl under applied pressures up to similar to 2.5 GPa. We observe two distinct oscillation frequencies, corresponding to the Rashba-split inner and outer Fermi sur ...
The growing library of two-dimensional layered materials is providing researchers with a wealth of opportunity to explore and tune physical phenomena at the nanoscale. Here, we review the experimental and theoretical state-of-art concerning the electron sp ...
We carry out first-principles calculations of band gaps of cubic inorganic perovskites belonging to the class CsBX3, with B = Pb, Sn and X = Cl, Br, I. We use the quasi particle self-consistent GW method with efficient vertex corrections to calculate the e ...
We present first-principles calculations of the electronic structure of BiVO4 at various levels of theory. In the calculations, we take into account a series of effects that affect the band gap, i.e., spin-orbit coupling, electron-hole interaction, nuclear ...
The spin splitting of conduction band electrons in inversion-asymmetric InGaAs/InP quantum wells (QWs) is studied by Shubnikov-de Haas measurements combining the analysis of beating patterns and coincidence measurements in doubly tilted magnetic fields. Th ...
Institute of Physics (IoP) and Deutsche Physikalische Gesellschaft2017
After photon absorption, electrons from a dispersive band of a solid require a finite time in the photoemission process before being photoemitted as free particles, in line with recent attosecond-resolved photoemission experiments. According to the Eisenbu ...
The dynamical charge-density response of bulk bismuth has been studied within time-dependent density functional perturbation theory, explicitly accounting for spin-orbit coupling. The use of the Liouville-Lanczos approach allows us to calculate electron en ...
In this paper we discuss partial differential equations with multiple scales for which scale resolution are needed in some subregions, while a separation of scale and numerical homogenization is possible in the remaining part of the computational domain. D ...
