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Stable centred tetragonal phases in the hard core Yukawa system

Gernot J Pauschenwein1,2 and Gerhard Kahl1

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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.


PACS

64.70.K- Solid–solid transitions

62.50.-p High-pressure effects in solids and liquids

Subjects

Condensed matter: structural, mechanical & thermal

Dates

Issue 47 (25 November 2009)

Received 20 February 2009, in final form 21 April 2009

Published 5 November 2009



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