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High-throughput Discovery of Topologically Non-trivial Materials using Spin-orbit Spillage
We present a novel methodology to identify topologically non-trivial materials based on band inversion induced by spin-orbit coupling (SOC) effect. Specifically, we compare the density functional theory (DFT) based wavefunctions with and without spin-orbit coupling and compute the ‘spin-orbit-spilla...
Guardat en:
| Publicat a: | Sci Rep |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Nature Publishing Group UK
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6561936/ https://ncbi.nlm.nih.gov/pubmed/31189899 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-45028-y |
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