3 research outputs found
The Puzzling Stability of Monatomic Gold Wires
We have examined theoretically the spontaneous thinning process of
tip-suspended nanowires, and subsequently studied the structure and stability
of the monatomic gold wires recently observed by Transmission Electron
Microscopy (TEM). The methods used include thermodynamics, classical many-body
force simulations, Local Density (LDA) and Generalized Gradient (GGA)
electronic structure calculations as well as ab-initio simulations including
the two tips. The wire thinning is well explained in terms of a thermodynamic
tip suction driving migration of surface atoms from the wire to the tips. For
the same reason the monatomic wire becomes progressively stretched.
Surprisingly, however, all calculations so far indicate that the stretched
monatomic gold wire should be unstable against breaking, contrary to the
apparent experimental stability. The possible reasons for the observed
stability are discussed.Comment: 4 figure
The puzzling stability on monatomic gold wires
To appear in Surface Science LettersConsiglio Nazionale delle Ricerche - Biblioteca Centrale - P.le Aldo Moro,7, Rome / CNR - Consiglio Nazionale delle RichercheSIGLEITItal