Formation of polymorphic cluster phases for a class of models of purely repulsive soft spheres.

Abstract

We present results from density functional theory and computer simulations that unambiguously predict the occurrence of first-order freezing transitions for a large class of ultrasoft model systems into cluster crystals. The clusters consist of fully overlapping particles and arise without the existence of attractive forces. The number of particles participating in a cluster scales linearly with density, therefore the crystals feature density-independent lattice constants. Clustering is accompanied by polymorphic bcc-fcc transitions, with fcc being the stable phase at high densities.

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@article{Mladek2006FormationOP, title={Formation of polymorphic cluster phases for a class of models of purely repulsive soft spheres.}, author={Bianca M Mladek and Dieter Gottwald and Gerhard Kahl and Martin Neumann and Christos N Likos}, journal={Physical review letters}, year={2006}, volume={96 4}, pages={045701} }