Electronic structure and properties of Ni-Si(001) and Ni-Si(111) reactive interfaces

O. Bisi*, L. W. Chiao, King-Ning Tu

*此作品的通信作者

研究成果: Article同行評審

50 引文 斯高帕斯(Scopus)

摘要

A theoretical investigation of the Ni-Si(001) and Ni-Si(111) reactive interfaces using electronic band-structure calculation is presented. The following near-surface structures and interface models have been studied: (a) metastable adamantane structures of Ni interstitials in bulk Si at different stoichiometries: (b) isolated Ni interstitials near Si(001) and Si(111) surfaces; (c) single layer of NiSi2 rotated by 180°on Si(111); and (d) Ni atom chemisorbed on a single layer of NiSi2 on Si(111). The electronic properties of these structures and models are described and compared with the available experimental data. The low-Ni-coverage experimental results obtained for the (001) Si surface are interpreted in terms of an interfacial phase containing Ni interstitials in an adamantane geometry. For the (111) Si surface the experimental data provide evidence of both an interfacial phase containing Ni interstitials in an adamantane geometry and an epitaxial NiSi2-Si(111) interface.

原文English
頁(從 - 到)4664-4674
頁數11
期刊Physical Review B
30
發行號8
DOIs
出版狀態Published - 1 1月 1984

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