Cut-and-Project Density Functional Theory for Quasicrystals
Fuente:
arXiv
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866918389797093376 |
|---|---|
| author | Nop, Gavin N. Smith, Jonathan D. H. Koschny, Thomas Paudyal, Durga |
| author_facet | Nop, Gavin N. Smith, Jonathan D. H. Koschny, Thomas Paudyal, Durga |
| contents | Cut-and-project from a symmetric structure in a higher-dimensional space is a standard method for describing the structure of a large class of quasicrystals. By means of a novel localization procedure, we now show how local physical interactions within these quasicrystals are also accurately described by cut-and-project, from corresponding physical interactions in the higher-dimensional space. A density functional theory (DFT++) formulation allows the cut-and-project method to handle the Schroedinger equation for interactions in quasicrystals. The theory is both rigorous and computationally tractable. The resulting ab initio approach specifies quasicrystalline quantum states, in contrast to previous approaches which only worked with crystalline approximants of the quasi-periodic structures. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_14590 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Cut-and-Project Density Functional Theory for Quasicrystals Nop, Gavin N. Smith, Jonathan D. H. Koschny, Thomas Paudyal, Durga Materials Science Other Condensed Matter Mathematical Physics Cut-and-project from a symmetric structure in a higher-dimensional space is a standard method for describing the structure of a large class of quasicrystals. By means of a novel localization procedure, we now show how local physical interactions within these quasicrystals are also accurately described by cut-and-project, from corresponding physical interactions in the higher-dimensional space. A density functional theory (DFT++) formulation allows the cut-and-project method to handle the Schroedinger equation for interactions in quasicrystals. The theory is both rigorous and computationally tractable. The resulting ab initio approach specifies quasicrystalline quantum states, in contrast to previous approaches which only worked with crystalline approximants of the quasi-periodic structures. |
| title | Cut-and-Project Density Functional Theory for Quasicrystals |
| topic | Materials Science Other Condensed Matter Mathematical Physics |
| url | https://arxiv.org/abs/2603.14590 |