Structural spillage: An efficient method to identify noncrystalline topological materials

PHYSICAL REVIEW RESEARCH(2023)

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Abstract
While topological materials are not restricted to crystals, there is no efficient method to diagnose topology in noncrystalline solids such as amorphous materials. Here we introduce the structural spillage, a new indicator that predicts the unknown topological phase of a noncrystalline 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 noncrystalline solids via first-principles and high-throughput searches.
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Key words
noncrystalline topological materials,structural spillage
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