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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6561936/ https://www.ncbi.nlm.nih.gov/pubmed/31189899 http://dx.doi.org/10.1038/s41598-019-45028-y |