Computer simulation of Au(001)/Ni multilayers: comparison with experiments

Abstract

The structure of thin Ni f i l m on Au(OO1) and Au(OO1)iNi multilayers is studied as a function of the thickness of Ni using a semiempirical potential based on the tight-binding second-moment approximation. It is shown that the stable structure is pseudomorphic for a thickness less than five monolayers and [ZiiOl hcp or 4H for a greater thidoless with closepacked planes perpendicular to the interfaces. Moreover. we show that a thin Ni film gmwn on Au(0Ol) substrate is covered by at least one monolayer of Au. We compare ow results with high-resolution electronic microscopy (HREM) and x-ray diffraction.

Influence of Imaging Parameters and Specimen Thinning on Strain Measurements in Au/Ni MBE Multilayers by HREM Image Processing

“…In our case, the multilayer periods measured by HREM and X-rays are similar. The extension of the distortion profiles has been confirmed by X-rays diffraction and numerical calculations (Monte Carlo) [13].…”

Phase imaging and the evolution of a gold-vacuum interface at atomic resolution

“…How great is this difference in binding energies? The binding of face-centered cubic metals is mediated by localized d-shell electrons and the repulsion of nearest neighbor ions, as modeled by a tight-binding second-moment approximation 17,18 . In particular, this has been used to study the properties of the chevron defect 16 .…”

Magnetic anisotropy in icosahedral cobalt clusters

“…The clusters were relaxed by minimizing the structural energy using a conjugate gradient technique. The energetics of the cobalt clusters was represented using a semi-empirical potential well based on the embedded-atom method [21,22]. From this, we obtain relaxed atomic positions, which indicate the inhomogeneous deformations to the atomic structure.…”