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Interatomic potentials with multi-body interactions
Date
1988-9-1
Author
Haliciogli, T.
Pamuk, H. O.
Erkoç, Sevilay
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Various model potentials comprising two‐ and three‐body interactions are analyzed comparatively. In this study Tersoff (T), Tersoff‐Dodson (TD), Stillinger‐Weber (SW), and Pearson‐Takai‐Halicioglu‐Tiller (PTHT) potentials are included and their capabilities in reproducing various bulk, surface, and small cluster properties of silicon are investigated. For a proper comparison properties of small Si clusters are also calculated in this work using the PTHT function. Applicability and limitations of each potential are delineated and discussed. In general, structural properties calculated by these functions are found to be in better agreement with experiments than corresponding energy‐related properties.
Subject Keywords
Electronic, Optical and Magnetic Materials
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/51871
Journal
physica status solidi (b)
DOI
https://doi.org/10.1002/pssb.2221490108
Collections
Department of Mathematics, Article
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T. Haliciogli, H. O. Pamuk, and S. Erkoç, “Interatomic potentials with multi-body interactions,”
physica status solidi (b)
, pp. 81–92, 1988, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51871.