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

Daniel Muñoz-Segovia, Paul Corbae, Dániel Varjas, Frances Hellman, Sinéad M. Griffin, Adolfo G. Grushin

Published 2023-01-06Version 1

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.