Structural studies of local environments in high-symmetry quasicrystals

Abstract

AbstractThe statistics of how the local environment of a particle looks like, e.g., given by the distribution of nearest neighbor distances or the sizes of Voronoi cells, is important as a starting point for the calculation of many material properties like electronic or photonic band structures. Here we study local environments that occur in quasicrystals with large rotational symmetry. Both with analytical considerations based on geometric arguments and with an analysis of a large number of numerically created patches of high-symmetry quasicrystals we find that the Voronoi area’s distribution reaches a bimodal curve and that in the limit of large rotational symmetries the distribution of nearest neighbor distance converges against a universal curve, where $$27.7\%$$ 27.7 % of the vertices have their nearest neighbor at a normalized distance equal to 1, while for the other $$72.3\%$$ 72.3 % the nearest neighbor is at a distance less than 1. Therefore, the statistics of local environments is non-trivial but independent of the specific rotational symmetry. Thus properties that only depend on local environments are expected to be universal for all high-symmetry quasicrystals.