Topological insulators in the NaCaBi family with large spin-orbit coupling gaps
By means of first-principles calculations and crystal structure searching techniques, we predict that a different NaCaBi family crystallized into the ZrBeSi-type structure (i.e., P6_{3}/mmc) are strong topological insulators (STIs). Taking P6_{3}/mmc NaCaBi as an example, the calculated band structu...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2021-03-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.3.013278 |