406 citations · 855 across the 14 of their papers we have counts for
Showing 2008Show all
2 papers · 1 filter
cond-mat.mtrl-sci2008★ 24 cited
Diffusion and desorption of SiH3 on hydrogenated H:Si(100)-(2x1) from first principles
Michele Ceriotti, Marco Bernasconi
We have studied diffusion pathways of a silyl radical adsorbed on the hydrogenated Si (100)-(2x1) surface by density-functional theory. The process is of interest for the growth of…
cond-mat.mtrl-sci2008★ 164 cited
Ab initio study of the vibrational properties of crystalline TeO2: The alpha, beta, and gamma phases
Michele Ceriotti, Fabio Pietrucci, Marco Bernasconi
Based on density functional perturbation theory, we have studied the vibrational properties of three crystalline phases of tellurium dioxide: paratellurite alpha-TeO2, tellurite be…