4.8 Article

Density Distribution in Soft Matter Crystals and Quasicrystals

Journal

PHYSICAL REVIEW LETTERS
Volume 126, Issue 21, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.126.218003

Keywords

-

Funding

  1. Hooke Research Fellowship
  2. EPSRC [EP/P015689/1, EP/P015611/1]
  3. Leverhulme Trust [RF-2018-449/9]
  4. EPSRC [EP/P015689/1, EP/P015611/1] Funding Source: UKRI

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Representing the density distribution via a Fourier sum instead of the logarithm is argued to be better for solids, especially for soft matter crystals. Truncating this representation after only a few terms can be highly accurate, and it is also useful for calculating the phase diagram for a three-dimensional quasicrystal-forming system.
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.

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