Density Distribution in Soft Matter Crystals and Quasicrystals

Priya Subramanian*, Daniel Ratliff, Alastair M. Rucklidge, Andrew J. Archer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)
3 Downloads (Pure)

Abstract

The density distribution in solids is often represented as a sum of Gaussian peaks (or similar functions) centered on lattice sites or via a Fourier sum. Here, we argue that representing instead the logarithm of the density distribution via a Fourier sum is better. We show that truncating such a representation after only a few terms can be highly accurate for soft matter crystals. For quasicrystals, this sum does not truncate so easily, nonetheless, representing the density profile in this way is still of great use, enabling us to calculate the phase diagram for a three-dimensional quasicrystal-forming system using an accurate nonlocal density functional theory.

Original languageEnglish
Article number218003
JournalPhysical Review Letters
Volume126
Issue number21
DOIs
Publication statusPublished - 26 May 2021

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