Subramanian, P orcid.org/0000-0001-7971-2091, Ratliff, DJ orcid.org/0000-0001-9502-0431, Rucklidge, AM orcid.org/0000-0003-2985-0976 et al. (1 more author) (2021) Density Distribution in Soft Matter Crystals and Quasicrystals. Physical Review Letters, 126 (21). 218003. ISSN 0031-9007
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2021 American Physical Society. This is an author produced version of an article published in Physical Review Letters. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | cond-mat.soft; nlin.PS |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Mathematics (Leeds) > Applied Mathematics (Leeds) |
Funding Information: | Funder Grant number EPSRC (Engineering and Physical Sciences Research Council) EP/P015611/1 Leverhulme Trust RF-2018-449\9 |
Depositing User: | Symplectic Publications |
Date Deposited: | 03 Jun 2021 13:30 |
Last Modified: | 08 Jan 2025 13:12 |
Status: | Published |
Publisher: | American Physical Society |
Identification Number: | 10.1103/PhysRevLett.126.218003 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:174763 |