Interference of surface relaxations in unsupported thin films
- 15 January 1989
- journal article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (2) , 1395-1398
- https://doi.org/10.1103/physrevb.39.1395
Abstract
We present embedded-atom simulations of interlayer relaxations in very thin slabs of Al and NiAl with (110) and (210) surfaces. The interlayer spacing at a given depth from the surface depends strongly on the slab thickness. For example, the value of the first-layer contraction exhibits a decaying oscillation about that for a semi-infinite solid as the slab thickness is increased. These effects can be understood as an interference of the relaxations from each of the two free surfaces of the slab. This interference model provides quantitative predictions of the slab interlayer spacings.Keywords
This publication has 7 references indexed in Scilit:
- All-electron local-density theory of the rippled NiAl(110) surfacePhysical Review B, 1987
- NiAl(110) surface: First-principles determination of the rippled relaxationPhysical Review B, 1987
- Computer simulation of grain boundaries in Ni3Al: The effect of grain boundary compositionScripta Metallurgica, 1986
- Oscillatory Surface Relaxations in Ni, Al, and Their Ordered AlloysPhysical Review Letters, 1986
- Multilayer distortion in the reconstructed (110) surface of AuSurface Science, 1985
- Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metalsPhysical Review B, 1984
- Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in MetalsPhysical Review Letters, 1983