SURFACES, NANOPHYSICS, FRICTION:
THEORY AND SIMULATION
SURFACES, NANOPHYSICS, FRICTION:
THEORY AND SIMULATION
This research line comprises several different areas whose common point
is the predominance of surface effects over bulk. The methods used in
this area are classical molecular dynamics simulation for metal surfaces,
and density functional electronic structure calculations for semiconductor
surfaces. The first area is surfaces, in particular the exploration
of strain as a tool for causing surface phase transitions. The second
area is nanoscience, with particular regard to understanding the geometry,
the electronic structure and the conductance of tip-suspended metal
nanowires and nanocontacts. A third area where the activity is still
modest but growing is friction, in particular the role of electronic
friction, and friction between incommensurate layers. Faculty members
involved are:
- A. DAL CORSO (electronic structure of nanowires, organic crystal
surfaces)
- G. SANTORO (lattice models, surface valence ordering, nanowires)
- S. SCANDOLO (first principles simulation of surface valence ordering,
organic surfaces)
- E. TOSATTI (theory of strain-induced surface transitions, nanowires,
nanofriction, surface valence ordering, organic surfaces)
Post-docs: Ugo Tartaglino, Alexander Smogunov, Fabien Picaud.
PhD
Students: Davide Ceresoli, Gerardo Ballabio (currently post-doc in Milan),
Lorenzo Stella.
External collaborators: G. Profeta (L'Aquila), M.C.
Righi (Modena), S. Serra (Pirelli), A. Delin (ICTP post-doc), F. Ercolessi
(Univ. Udine), D. Passerone (Manno, CH), E. Jagla (Bariloche, Argentina),
W. Sekkal (ICTP post-doc).
MAIN RESEARCH TOPICS (RECENT or ONGOING):
- Semiconductor
surfaces
(G. Ballabio, S. de Gironcoli, G. Profeta, G. Santoro, S. Scandolo,
E. Tosatti)
- Surfaces of Organic
Insulators
(D. Ceresoli, MC.Righi, S. Serra, G. Santoro, S. Scandolo, E. Tosatti)
- Surface Modifications
and Phase Transitions Caused by Mechanical Strain
(U. Tartaglino, D. Passerone, F. Ercolessi, E. Tosatti)
- Electronic structure
and stability of noble metal nanowires
(E. Tosatti, A. Dal Corso, R. A. Weht)
- Conductance of magnetic
Nickel nanocontacts
(A. Smogunov, A. Dal Corso, and E. Tosatti)
- Conductance calculations
in Au nanowires
(M. Fabrizio, A. Dal Corso, F. Picaud, G. Santoro, L. Stella, E.
Tosatti)
- Incipient magnetism
in transition-metal monoatomic nanowires
(A. Delin, E. Tosatti, R.A. Weht)
- Friction and adhesion
(E. Tosatti, B.N.J Persson, U. Tartaglino, E.A. Jagla)
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