The DOI matches its Crossref record; 164 of the 164 references it cites were found in a registry or an index.
Z2Pack: Numerical implementation of hybrid Wannier centers for identifying topological materials
Open accessAbstract
The intense theoretical and experimental interest in topological insulators and semimetals has established band structure topology as a fundamental material property. Consequently, identifying band topologies has become an important, but often challenging, problem, with no exhaustive solution at the present time. In this work we compile a series of techniques, some previously known, that allow for a solution to this problem for a large set of the possible band topologies. The method is based on tracking hybrid Wannier charge centers computed for relevant Bloch states, and it works at all levels of materials modeling: continuous $\mathbf{k}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{p}$ models, tight-binding models, and ab initio calculations. We apply the method to compute and identify Chern, ${\mathbb{Z}}_{2}$, and crystalline topological insulators, as well as topological semimetal phases, using real material examples. Moreover, we provide a numerical implementation of this technique (the Z2Pack software package) that is ideally suited for high-throughput screening of materials databases for compounds with nontrivial topologies. We expect that our work will allow researchers to (a) identify topological materials optimal for experimental probes, (b) classify existing compounds, and (c) reveal materials that host novel, not yet described, topological states.
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Cited by
WannierTools: An open-source software package for novel topological materials
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From DFT to machine learning: recent approaches to materials science–a review
Schleder, G. R., Padilha, A. C. M., Acosta, C. M., Costa, M., & Fazzio, A. (2019) · Journal of Physics: Materials · doi:10.1088/2515-7639/ab084b · Cited by 852
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Topological Semimetals from First Principles
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Metadata
- Authors
- Gresch, D., Autès, G., Yazyev, O. V., Troyer, M., Vanderbilt, D., Bernevig, B. A., & Soluyanov, A. A.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2017-02-23
- Volume
- 95
- Issue
- 7
- ISSN
- 2469-9950 (ISSN-L)
- 2469-9969
- OpenAlex
- W2542129052
- Cited by
- 438
- References
- 164
- FWCI
- 28.19
- Type
- journal article
- Language
- en
- Open access
- green
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- Gresch, D., Autès, G., Yazyev, O. V., Troyer, M., Vanderbilt, D., Bernevig, B. A., & Soluyanov, A. A. (2017). Z2Pack: Numerical implementation of hybrid Wannier centers for identifying topological materials. Physical Review B. https://doi.org/10.1103/physrevb.95.075146
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