252 citations · 803 across the 17 of their papers we have counts for
5 papers · 1 filter
Energy-momentum mapping of d-derived Au(111) states in a thin film
P. M. Sheverdyaeva, R. Requist, P. Moras +5
The quantum well states of a film can be used to sample the electronic structure of the parent bulk material and determine its band parameters. We highlight the benefits of two-dim…
Interaction of a CO molecule with a Pt monatomic wire: electronic structure and ballistic conductance
G. Sclauzero, A. Dal Corso, A. Smogunov +1
We carry out a first-principles density functional study of the interaction between a monatomic Pt wire and a CO molecule, comparing the energy of different adsorption configuratio…
Surface molecular dynamics simulation with two orthogonal surface steps: how to beat the particle conservation problem
D. Passerone, U. Tartaglino, F. Ercolessi +1
Due to particle conservation, Canonical Molecular Dynamics (MD) simulations fail in the description of surface phase transitions involving coverage or lateral density changes. Howe…
The Puzzling Stability of Monatomic Gold Wires
J. A. Torres, E. Tosatti, A. Dal Corso +4
We have examined theoretically the spontaneous thinning process of tip-suspended nanowires, and subsequently studied the structure and stability of the monatomic gold wires recentl…
First Principles Calculations of Charge and Spin Density Waves of sqr3-Adsorbates on Semiconductors
S. Scandolo, F. Ancilotto, G. L. Chiarotti +3
We present ab-initio electronic structure results on the surface of sqr3 adsorbates. In particular, we address the issue of metal-insulator instabilities, charge-density-waves (CDW…