The influence of local volume forces on surface relaxation of pure metals and alloys: Applications to Ni, Al and Ni3Al
- 1 July 1988
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine A
- Vol. 58 (1) , 227-241
- https://doi.org/10.1080/01418618808205185
Abstract
We present an analysis of the relative influence of the interatomic potential, lattice structure and defect symmetry on the calculated and measured distortion for the free surfaces of alloys and pure metals. In particular, the effect of using local ‘volume’ dependent interactions is studied, as opposed to simple pair interatomic forces. The dependence of the relaxation on the lattice structure is examined by comparing pure metals with ordered alloys. A Green function method for surface relaxation is presented and used for the above analysis as well as for studying the influence of different surface symmetries. Examples based on computer simulation of Ni, Al and Ni3Al for some surface orientations are presented.Keywords
This publication has 26 references indexed in Scilit:
- Atomic structure of a {001} surface ofAlPhysical Review B, 1986
- Accurate Interatomic Potentials for Ni, Al and Ni3AlMRS Proceedings, 1986
- Oscillatory relaxation of the Ni(110) surface: a LEED studyJournal of Physics C: Solid State Physics, 1985
- Truncation-induced multilayer relaxation of the A1(110) surfacePhysical Review B, 1984
- Oscillatory relaxation of the Al(110) surfaceJournal of Physics C: Solid State Physics, 1984
- Preparation of atomically clean surfaces of selected elements: A reviewApplications of Surface Science, 1982
- Multilayer relaxation of the Al(110) surfaceJournal of Physics C: Solid State Physics, 1982
- Lattice relaxation at metal surfaces: An electrostatic modelPhysical Review B, 1980
- LEED crystallographyJournal of Physics C: Solid State Physics, 1978
- Distortion of crystals by point defectsAnnals of Physics, 1962