Topological tuning in three-dimensional dirac semimetals.
Open accessAbstract
We study with first-principles methods the interplay between bulk and surface Dirac fermions in three dimensional Dirac semimetals. By combining density functional theory with the coherent potential approximation, we reveal a topological phase transition in Na_{3}Bi_{1-x}Sb_{x} and Cd_{3}[As_{1-x}P_{x}]_{2} alloys, where the material goes from a Dirac semimetal to a trivial insulator upon changing Sb or P concentrations. Tuning the composition allows us to engineer the position of the bulk Dirac points in reciprocal space. Interestingly, the phase transition coincides with the reversal of the band ordering between the conduction and valence bands.
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A related phenomenon can occur for thin films with the rotational symmetry axis aligned with the surface normal which allows intervalley scattering between partner DP's at ±k_z as found in calculations for thin films in the A3Bi family (Narayan et al., 2014).
“A related phenomenon can occur for thin films with the rotational symmetry axis aligned with the surface normal which allows intervalley scattering between partner DP's at ± k z as found in calculations for thin films in the A 3 Bi family (Narayan et al. , 2014).”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Narayan et al., 2014
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References 26 · Cited by 61
- Authors
- Narayan, A., Di Sante, D., Picozzi, S., & Sanvito, S.
- Affiliations
- Trinity College Dublin (IE)
- National Research Council (IT)
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2014-12-17
- Volume
- 113
- Issue
- 25
- Pages
- 256403-256403
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1976290436
- Cited by
- 61
- References
- 26
- Citations by year
- 2026: 1 · 2025: 3 · 2024: 3 · 2023: 2 · 2022: 4 · 2021: 7 · 2020: 4 · 2019: 5 · 2018: 11 · 2017: 7 · 2016: 5 · 2015: 7 · 2014: 2
- FWCI
- 3.48
- Type
- journal article
- Language
- en
- Open access
- green
- arxiv.org
- Locations
- Physical Review Letters (publishedVersion)
- arXiv (Cornell University) (publishedVersion)
- PubMed (publishedVersion)
- Arrow@dit (Dublin Institute of Technology) (submittedVersion, cc-by-nc-sa)
- BOA (University of Milano-Bicocca) (submittedVersion)
- Archivio istituzionale della ricerca (Alma Mater Studiorum Università di Bologna) (submittedVersion)
- arXiv (Cornell University)
- Funders
- Irish Research Council
- Fondazione Cariplo (2013-0726)
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Topological Materials and Phenomena
- Physical Sciences › Materials Science › Materials Chemistry › 2D Materials and Applications
- Physical Sciences › Physics and Astronomy › Condensed Matter Physics › Advanced Condensed Matter Physics
- Keywords
- three-dimensional Dirac semimetal, topological phase transition, surface Dirac fermions, coherent potential approximation, composition tuning
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Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
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