Title: Stability and structure of the Rb⁺Ar_n (n = 1−20) small clusters

Authors: J. Dhiflaoui, H. Berriche

Addresses: Laboratoire de Physique et chimie des Interfaces, Departement de Physique, Faculte des Sciences de Monastir, Avenue de l'Environement, 5019 Monastir, Tunisie. ' Laboratoire de Physique et chimie des Interfaces, Departement de Physique, Faculte des Sciences de Monastir, Avenue de l'Environement, 5019 Monastir, Tunisie; Physics Department, College of Sciences, King Khalid University, P.O. Box 9004, Abha, Saudi Arabia

Abstract: We have studied the structure and stability of Rb⁺Ar_n small clusters (n = 1−20). To describe the potential energy surface of this systems, we have used the analytical form of Tang and Toennies and Lennard Jones (LJ) for the Rb⁺Ar and Ar₂ interactions, respectively. The potential energy surface is explored by the Monte Carlo basin hopping optimisation method in order to determine the minimal structures and their isomers. The relative high stability for Rb⁺Ar_n with n = 6, 10, 12, 18 and 20 is observed.

Keywords: small clusters; basin hopping; argon atoms; alkali atoms; stability; magic numbers; nanotechnology; optimisation.

DOI: 10.1504/IJNP.2009.028774

International Journal of Nanoparticles, 2009 Vol.2 No.1/2/3/4/5/6, pp.394-401

Published online: 30 Sep 2009 *

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