Adatom Ascending at Step Edges and Faceting on fcc Metal (110) Surfaces

Journal Article · Thu Jan 01 00:00:00 EST 2004 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.92.106102· OSTI ID:1003048

Zhu, W. ^[1]; de Mongeot, F. B. ^[2]; Valbusa, U. ^[3]; Wang, E. G. ^[4]; Zhang, Zhenyu ^[5]

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1. Chinese Academy of Sciences
2. INFM-Unita di Genova and Dipartimento di Fisica, Italy
3. INFM-Trinta di Genova and Dipartimento di Fisica, Italy
4. International Center for Quantum Structures and Institute of Physics, China
5. ORNL

Using first-principles total-energy calculations, we show that an adatom can easily climb up at monatomic-layer-high steps on several representative fcc metal (110) surfaces via a place exchange mechanism. Inclusion of such novel adatom ascending processes in kinetic Monte Carlo simulations of Al(110) homoepitaxy as a prototypical model system can lead to the existence of an intriguing faceting instability, whose dynamical evolution and kinetic nature are explored in comparison with experimental observations.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 1003048
• Journal Information: Physical Review Letters, Vol. 92, Issue 10; ISSN 0031--9007
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
FCC LATTICES
INCLUSIONS
INSTABILITY
KINETICS
METALS
MONTE CARLO METHOD
SURFACES