Calculation of the structure of the Al(331) stepped surface

Journal Article · Mon Apr 06 04:00:00 EDT 1992 · Physical Review Letters; (United States)

DOI:https://doi.org/10.1103/PhysRevLett.68.2188· OSTI ID:7286075

Nelson, J S; Feibelman, P J ^[1]

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1. Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

Car-Parinello-like calculations have been used to compute the relaxation of the Al(331) surface, with results that are in remarkable agreement with the low-energy electron-diffraction analysis of Adams and So( )renson. Rapid screening of the steps on Al(331) is illustrated by comparing its charge density and relaxations to those of Al(110) and Al(111).

• DOE Contract Number: AC04-76DP00789
• OSTI ID: 7286075
• Journal Information: Physical Review Letters; (United States), Journal Name: Physical Review Letters; (United States) Vol. 68:14; ISSN PRLTA; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

665000* -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALUMINIUM
CHARGE DENSITY
COHERENT SCATTERING
COMPUTERIZED SIMULATION
DIFFRACTION
ELECTRON DIFFRACTION
ELEMENTS
ITERATIVE METHODS
METALS
MORPHOLOGY
RELAXATION
SCATTERING
SIMULATION
SURFACE PROPERTIES