234 citations · 378 across the 5 of their papers we have counts for
4 papers · 1 filter
Hydrogen Impurity in Yttria: \textit{Ab-Initio} Study by Semi-Local and Hybrid Functionals
E. L. Silva, A. G. Marinopoulos
A study based on density functional theory calculations was performed for the three charge states of interstitial hydrogen in Yttria. The present calculations were carried out by e…
Anomalous Angular Dependence of the Dynamic Structure Factor near Bragg Reflections: Graphite
R. Hambach, C. Giorgetti, N. Hiraoka +5
The electron energy-loss function of graphite is studied for momentum transfers q beyond the first Brillouin zone. We find that near Bragg reflections the spectra can change drasti…
Optical absorption in small BN and C nanotubes
L. Wirtz, V. Olevano, A. G. Marinopoulos +2
We present a theoretical study of the optical absorption spectrum of small boron-nitride and carbon nanotubes using time-dependent density-functional theory and the random phase ap…
Optical absorption and electron energy loss spectra of carbon and boron nitride nanotubes: a first principles approach
A. G. Marinopoulos, Ludger Wirtz, Andrea Marini +3
We present results for the optical absorption spectra of small-diameter single-wall carbon and boron nitride nanotubes obtained by {\it ab initio} calculations in the framework of…