Classical-trajectory calculations on Ar/sup +/ sputtering of a Si(001) surface using an ab initio potential

Journal Article · Sat Apr 15 04:00:00 EDT 1989 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.39.7680· OSTI ID:6180573

Stansfield, R A; Broomfield, K; Clary, D C

We describe classical-trajectory calculations of sputtering yields for Ar/sup +/-ion collisions with a Si(001) surface. The Ar/sup +/-Si and short-ranged Si-Si interaction potentials were calculated using the ab initio Hartree-Fock and configuration-interaction methods. The low-energy potential describing the silicon solid is the two- and three-body form due to Stillinger and Weber. We compare the calculated sputtering yields with experiment. The potential-energy surface strongly influences the calculated sputtering yields, and it is found that the most reasonable agreement is obtained from our potentials using the (2 x 1) Si(001) reconstructed surface rather than the bulk-terminated surface. Analysis of the kinetic energy and angular distributions of the sputtered silicon atoms and of cluster yields has provided a mechanism of ejection.

• Research Organization: University Chemical Laboratory, University of Cambridge, Lensfield Road, Cambridge CB21EW, England
• OSTI ID: 6180573
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 39:11; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

656003* -- Condensed Matter Physics-- Interactions between Beams & Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANGULAR DISTRIBUTION
ARGON IONS
CHARGED PARTICLES
COLLISIONS
DISTRIBUTION
ELEMENTS
ENERGY
HARTREE-FOCK METHOD
IONS
KINETIC ENERGY
MANY-BODY PROBLEM
SEMIMETALS
SILICON
SPUTTERING
SURFACES
THREE-BODY PROBLEM
TRAJECTORIES
TWO-BODY PROBLEM