Monte Carlo geometry optimization of Si_n (n ⩽ 71) clusters

Issue title: Silicon Clusters

Guest editors: G. Maroulisx and A. Zdetsisy

Article type: Research Article

Authors: Dugan, Nazım | Erkoç, Şakir^{; *}

Affiliations: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey | [x] Department of Chemistry, University of Patras, Greece | [y] Department of Physics, University of Patras, Greece

Correspondence: [*] Corresponding author. E-mail: [email protected].

Abstract: Optimum geometries of silicon clusters up to 71 atoms have been found by a recently developed Monte Carlo based global optimization method. Structural properties of these clusters have been investigated and the results have been compared with available results obtained by other methods. Radial distribution of atoms of Si71 have been compared with the silicon crystal structure.

Keywords: Silicon clusters, Monte Carlo optimization, empirical potential energy functions

DOI: 10.3233/JCM-2007-73-405

Journal: Journal of Computational Methods in Sciences and Engineering, vol. 7, no. 3-4, pp. 233-240, 2007