86 citations · 180 across the 5 of their papers we have counts for
Showing 2012Show all
2 papers · 1 filter
cond-mat.mtrl-sci2012★ 42 cited
The role of oxygen vacancies on the structure and the density of states of iron doped zirconia
Davide Sangalli, Alessio Lamperti, Elena Cianci +3
In this paper we study, both with theoretical and experimental approach, the effect of iron doping in zirconia. Combining density functional theory (DFT) simulations with the exper…
cond-mat.mtrl-sci2012★ 52 cited
Pseudo-potentials based first-principles approach to the magneto-optical Kerr effect: from metals to the inclusion of local fields and excitonic effects
Davide Sangalli, Andrea Marini, Alberto Debernardi
We propose a first-principles scheme for the description of the magneto-optical kerr effect within density functional theory (DFT). Though the computation of Kerr parameters is oft…