Document Type
Article
Original Publication Date
1990
Journal/Book/Conference Title
Applied Physics Letters
Volume
57
Issue
22
DOI of Original Publication
10.1063/1.103878
Date of Submission
April 2015
Abstract
The binding energies, electron charge transfer,bond lengths, and core level shifts of Al‐Al, Al‐Si, Al‐C, and Si‐C dimers have been calculated self‐consistently using the linear combination of atomic orbitals‐molecular orbital theory. The exchange interactions are treated using the unrestricted Hartree–Fock theory and correlation corrections are included through the Möller–Plesset perturbation scheme up to fourth order. The results are used to understand the nature and strength of bonding at the interface of Al and SiC crystals. The strong bonding of Al‐C dimers compared to Al‐Al and Al‐Si is shown to be responsible for the aluminumcarbide formation at the interface. The charge transfer between the constituent atoms in the dimer and the accompanying core level shifts are also shown to be characteristic of what has been observed at the Al/SiC interface.
Rights
Rao, B.K., Jena, P. Molecular view of the interfacial adhesion in aluminum‐silicon carbide metal‐matrix composites. Applied Physics Letters, 57, 2308 (1990). Copyright © 1990 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.103878