155 citations · 304 across the 5 of their papers we have counts for
5 papers
Density functional study of oxygen vacancies at the SnO2 surface and subsurface sites
F. Trani, M. Causa', D. Ninno +2
Oxygen vacancies at the SnO2(110) and (101) surface and subsurface sites have been studied in the framework of density functional theory by using both all-electron Gaussian and pse…
Screening in semiconductor nanocrystals: \textit{Ab initio} results and Thomas-Fermi theory
F. Trani, D. Ninno, G. Cantele +4
A first-principles calculation of the impurity screening in Si and Ge nanocrystals is presented. We show that isocoric screening gives results in agreement with both the linear res…
Ab initio calculations of electron affinity and ionization potential of carbon nanotubes
F. Buonocore, F. Trani, D. Ninno +3
By combining ab initio all-electron localized orbital and pseudopotential plane-wave approaches we report on calculations of the electron affinity (EA) and the ionization potential…
Role of local fields in the optical properties of silicon nanocrystals using the tight binding approach
F. Trani, D. Ninno, G. Iadonisi
The role of local fields in the optical response of silicon nanocrystals is analyzed using a tight binding approach. Our calculations show that, at variance with bulk silicon, loca…
Polarization anisotropy in the optical properties of silicon ellipsoids
F. Trani
A new real space quantum mechanical approach with local field effects included is applied to the calculation of the optical properties of silicon nanocrystals. Silicon ellipsoids a…