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Condensed Matter > Mesoscale and Nanoscale Physics

Title: Structural spillage: an efficient method to identify non-crystalline topological materials

Abstract: While topological materials are not restricted to crystals, there is no efficient method to diagnose topology in non-crystalline solids such as amorphous materials. Here we introduce the structural spillage, a new indicator that predicts the unknown topological phase of a non-crystalline solid, which is compatible with first-principles calculations. We illustrate its potential with tight-binding and first-principles calculations of amorphous bismuth, predicting a bilayer to be a new topologically nontrivial material. Our work opens up the efficient prediction of non-crystalline solids via first-principles and high-throughput searches.
Comments: 6+18 pages, 4+8 figures
Subjects: Mesoscale and Nanoscale Physics (cond-mat.mes-hall); Materials Science (cond-mat.mtrl-sci)
Journal reference: Physical Review Research 5, L042011 (2023)
DOI: 10.1103/PhysRevResearch.5.L042011
Cite as: arXiv:2301.02686 [cond-mat.mes-hall]
  (or arXiv:2301.02686v1 [cond-mat.mes-hall] for this version)

Submission history

From: Daniel Muñoz-Segovia [view email]
[v1] Fri, 6 Jan 2023 19:06:50 GMT (10362kb,D)

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