Structures and dynamical properties of Cn, Sin, Gen, and Snn clusters with n up to 13

Zhong-Yi Lu, Cai-Zhuang Wang, and Kai-Ming Ho
Phys. Rev. B 61, 2329 – Published 15 January 2000
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Abstract

Car-Parrinello molecular dynamics simulated annealings were carried out for clusters Sin, Gen, and Snn (n<~13). We investigate the temperature regions in which these clusters transform from a “liquidlike” phase to a “solidlike” phase, and then from the “solidlike” phase to the ground-state structures. Additional simulated annealing was also performed for the cluster C13 which is selected as a prototype of small carbon clusters. In addition to the discovery of structures for Sn and Ge clusters, our simulation results also provide insights into the dynamics of cluster formation.

  • Received 12 July 1999

DOI:https://doi.org/10.1103/PhysRevB.61.2329

©2000 American Physical Society

Authors & Affiliations

Zhong-Yi Lu, Cai-Zhuang Wang, and Kai-Ming Ho

  • Ames Laboratory–U.S. Department of Energy and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011

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Vol. 61, Iss. 3 — 15 January 2000

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