Quantum chemical study of adhesion at the SiC/Al interface
作者:
S. Li,
R. J. Arsenault,
P. Jena,
期刊:
Journal of Applied Physics
(AIP Available online 1988)
卷期:
Volume 64,
issue 11
页码: 6246-6253
ISSN:0021-8979
年代: 1988
DOI:10.1063/1.342082
出版商: AIP
数据来源: AIP
摘要:
Using the intermediate neglect of differential overlap approximation, the total energies of a number of clusters modelled to represent the SiC/Al interface have been calculated as a function of distance separating the two surfaces of SiC and Al. The adhesive energy of the interface is calculated by minimizing the total energies corresponding to various crystallographic orientations of the SiC and Al surfaces. The results are used to provide semiquantitative understanding of the bonding mechanism and the effect of reconstruction at the SiC/Al interface.
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