Structures and dynamical properties of and clusters with n up to 13
- 15 January 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 61 (3) , 2329-2334
- https://doi.org/10.1103/physrevb.61.2329
Abstract
Car-Parrinello molecular dynamics simulated annealings were carried out for clusters and 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 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.
Keywords
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