STRUCTURAL STABILITY AND ENERGETICS OF AS, SB AND BI MICROCLUSTERS - EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CALCULATION

Date

1991-08-09

Author

Katırcıoğlu, Şenay

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The structural stability and energetics of As, Sb and Bi microclusters having 3-7 atoms have been investigated by using a recently developed empirical many-body potential energy function (PEF), which comprises two- and three-body atomic interactions. The PEF satisfies both bulk cohesive energy per atom and bulk structural stability exactly. It has been found that the most stable structures of As3, Sb3 and Sb4 microclusters are in linear form with D-infinity-h symmetry, Bi7 is in hexagonal pyramid form with D6v symmetry. The rest of the microclusters prefer the planar form.

Subject Keywords

Physical and Theoretical Chemistry, General Physics and Astronomy

URI

https://hdl.handle.net/11511/34367

Journal

CHEMICAL PHYSICS LETTERS

DOI

https://doi.org/10.1016/0009-2614(91)90106-j

Collections

Department of Physics, Article

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Citation Formats

Ş. Katırcıoğlu, “STRUCTURAL STABILITY AND ENERGETICS OF AS, SB AND BI MICROCLUSTERS - EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CALCULATION,” CHEMICAL PHYSICS LETTERS, pp. 451–454, 1991, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/34367.