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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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