3 papers
cond-mat.mtrl-sci2025
An accurate DFT-1/2 approach for shallow defect states: Efficient calculation of donor binding energies in silicon
Joshua Claes, Bart Partoens, Dirk Lamoen +2
Accurate prediction of shallow-donor electron binding energies is critical for device modeling, dopant activation, and donor-based quantum technologies. Traditional beyond-DFT appr…
cond-mat.mtrl-sci2025
The charge cycle of group IV vacancy centers in diamond: From DFT to rate equations
Joshua Claes, Bart Partoens, Dirk Lamoen
The silicon vacancy center in diamond is a promising system for quantum technologies due to its exceptional optical and spin properties. This has led to great interest in the silic…
physics.atom-ph2024
Relativistic EELS scattering cross-sections for microanalysis based on Dirac solutions
Zezhong Zhang, Ivan Lobato, Hamish Brown +5
The rich information of electron energy-loss spectroscopy (EELS) comes from the complex inelastic scattering process whereby fast electrons transfer energy and momentum to atoms, e…