22 citations · 49 across the 6 of their papers we have counts for
9 papers
Ab initio investigation of the groundstate, electronic, and optical properties of polyyne and cumulene prototypes
Carlo Motta, Marco Cazzaniga, Andrea Bordoni +1
We have investigated polyyne and cumulene prototypes based on the density-functional theory. Our independent-particle spectra show that the various carbynes can be distinguished by…
Elementary structural building blocks encountered in silicon surface reconstructions
Corsin Battaglia, Katalin Gaal-Nagy, Claude Monney +5
Driven by the reduction of dangling bonds and the minimization of surface stress, reconstruction of silicon surfaces leads to a striking diversity of outcomes. Despite this variety…
A new structural model for the Si(331)-(12x1) reconstruction
Corsin Battaglia, Katalin Gaal-Nagy, Claude Monney +5
A new structural model for the Si(331)-(12x1) reconstruction is proposed. Based on scanning tunneling microscopy images of unprecedented resolution, low-energy electron diffraction…
Ab-initio calculation of the vibrational modes of SiH4, H2SiO, Si10H16, and Si10H14O
Katalin Gaal-Nagy, Giulia Canevari, Giovanni Onida
We have studied the normal modes of hydrogenated and oxidized silicon nanocrystals, namely SiH4 (silan), H2SiO (silanon), Si10H16 and Si10H14O. The small clusters (SiH4 and H2SiO)…
Ab-initio calculations of the optical properties of the Si(113)3x2ADI surface
Katalin Gaal-Nagy, Giovanni Onida
We investigated the stable silicon (113) surface with a 3x2ADI reconstruction by ab-initio methods. The ground state properties have been obtained using the density-functional theo…
Dielectric function of the Si(113)3x2ADI surface from ab-initio methods
Katalin Gaal-Nagy, Giovanni Onida
We have investigated the imaginary part of the dielectric function Im(epsilon) of the (113) 3x2 ADI reconstructed surface of silicon. The calculations have been performed for a per…