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Stable centred tetragonal phases in the hard core Yukawa system

Gernot J Pauschenwein et al 2009 J. Phys.: Condens. Matter 21 474202 (7pp)   doi: 10.1088/0953-8984/21/47/474202  Help

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Gernot J Pauschenwein1,2 and Gerhard Kahl1
1 Center for Computational (CMS) Materials Science and Institut für Theoretische Physik, Technische Universität Wien, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria
2 arsenal research, Sustainable Energy Systems, Giefinggasse 2, A-1210 Wien, Austria
E-mail: gernot.pauschenwein@arsenal.ac.at

Abstract. The hard core Yukawa system, consisting of particles with an impenetrable core and interacting via a repulsive Yukawa pair potential, is known to solidify either in a bcc or fcc crystal. Using optimization strategies based on genetic algorithms we give evidence that at zero temperature an additional centred tetragonal phase structure in the range of high packing fractions emerges.

Print publication: Issue 47 (25 November 2009)
Received 20 February 2009, in final form 21 April 2009
Published 5 November 2009

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