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1991 | 79 | 1 | 97-116
Article title

Reconstruction of the (001) Surface of Si from Molecular Dynamics

Content
Title variants
Languages of publication
EN
Abstracts
EN
The reconstruction of the (001) surface of Si at various temperatures is studied using molecular dynamics with many-body interactions. Two types of potentials were used: the Stillinger-Weber (SW), and Pearson and co-workers Axilrod-Teller type potential (AT). For Stillinger-Weber potential at low temperatures the (2x1) dimer reconstruction is about 0.07 eV per surface atom more preferable than the c(2x2)structure which is in agreement with the experimental reconstruction observed by STM. Contrary, for Axilrod-Teller type potential the c(2x2) structure is lower by 0.2 eV than the (2x1) structure. The silicon surface is stable up to 1500 K, all the dimers remain unbroken but some of them are tilted. The energies of various defects (suggested by STM studies) like single vacancy, two adjacent Si atoms vacancy, dimer vacancy, dimer vacancy with lower layer atoms rebonding and double dimer vacancy are estimated.
Keywords
EN
Year
Volume
79
Issue
1
Pages
97-116
Physical description
Dates
published
1991-01
received
1990-08-08
References
Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv79z108kz
Identifiers
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