Three-dimensional Dirac semimetals: Design principles and predictions of new materials
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Design principles and predictions of new three-dimensional (3D) Dirac semimetals are presented and placed in the context of currently known materials. Three different design principles are presented (cases I, II, and III), each of which yields predictions for new candidates. For case I, 3D Dirac semimetals based on charge-balanced compounds BaAgBi, SrAgBi, YbAuSb, ${\mathrm{PtBi}}_{2}$, and ${\mathrm{SrSn}}_{2}{\mathrm{As}}_{2}$ are identified as candidates. For case II, 3D Dirac semimetals in analogy to graphene, ${\mathrm{BaGa}}_{2}$ is identified as a candidate, and BaPt and ${\mathrm{Li}}_{2}\mathrm{Pt}$ are discussed. For case III, 3D Dirac semimetals based on glide planes and screw axes, ${\mathrm{TlMo}}_{3}{\mathrm{Te}}_{3}$ and the $A{\mathrm{Mo}}_{3}{X}_{3}$ family, in general ($A=\text{K}$, Na, In, Tl; $X=\text{Se}$,Te), as well as the Group IVb trihalides such as ${\mathrm{HfI}}_{3}$, are identified as candidates. Finally, we discuss conventional intermetallic compounds with Dirac cones and identify ${\mathrm{Cr}}_{2}\mathrm{B}$ as a potentially interesting material.
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This has been illustrated in a survey of materials in the ZrBeSi family which crystallize in the same space group as Na3Bi and exist in a family of materials sufficiently large to allow a separation of candidate Dirac and non-Dirac phases based on cation electronegativity differences (Gibson et al., 2015).
“This has been illustrated in a survey of materials in the ZrBeSi family which crystallize in the same space group as Na 3 Bi and exist in a family of materials sufficiently large to allow a separation of candidate Dirac and non-Dirac phases (Du et al. , 2015; Gibson et al. , 2015) based on cation electronegativity differences (Gibson et al. , 2015).”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Gibson et al., 2015
The space of candidate DSMs produced by band inversion is enlarged by considering ternary compounds (Du et al., 2015; Gibson et al., 2015; Kariyado and Ogata, 2011; Sklyadneva et al., 2016; Weng et al., 2016a).
“The space of candidate DSMs produced by band inversion is enlarged by considering ternary compounds (Du et al. , 2015; Gibson et al. , 2015; Kariyado and Ogata, 2011; Sklyadneva et al. , 2016; Weng et al. , 2016a).”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Gibson et al., 2015
Material realizations that also satisfy the band filling constraint have been proposed (Gibson et al., 2015; Steinberg et al., 2014; Young and Kane, 2015; Young et al., 2012).
“Material realizations that also satisfy the band filling constraint have been proposed (Gibson et al. , 2015; Steinberg et al. , 2014; Young and Kane, 2015; Young et al. , 2012).”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Gibson et al., 2015
The calculated electronic properties of ZrBeSi-type compounds change as a function of the total atomic number Z divided by the Pauling electronegativity difference ∆En.
“Fig. 18 (Gibson et al. , 2015) shows how the calculated electronic properties of ZrBeSi-type compounds change as a function of the total atomic number ( Z ) divided by the Pauling electronegativity difference (∆ E n ).”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Gibson et al., 2015
SrSn2As2 and ZrTe5 are believed to exist naturally near the critical point between a topological insulator and a non-topological insulator.
“Moreover, except for materials like SrSn 2 As 2 (Gibson et al. , 2015) and ZrTe 5 (Li et al. , 2016c; Yuan et al. , 2016a) which are materials believed to be exist naturally near the critical point between TI and non-TI, all the above non-stochiometric systems may exhibit additional effects due to disorder.”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Gibson et al., 2015
Empirically, once the Z/∆En metric reaches a certain value, band structure calculations predict that ZrBeSi-type materials will exhibit a Dirac cone.
“Similar to the above discussed half-Heusler compounds, it is found empirically that once this Z/ ∆ E n metric reaches a certain value, band structure calculations predict that these materials will exhibit a Dirac cone in their band structure structure.”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Gibson et al., 2015
All crystal structures are not equally likely to host Dirac semimetals.
“Therefore all crystal structures are not equally likely to host DSMs (Gibson et al. , 2015).”
From Weyl and Dirac semimetals in three-dimensional solids (2018) · cites this paper as Gibson et al., 2015
Cites
Two-dimensional gas of massless Dirac fermions in graphene
Novoselov, K. S., Geim, A. K., Morozov, S. V., Jiang, D., Katsnelson, M. I., Grigorieva, I. V., Dubonos, S. V., & Firsov, A. A. (2005) · Nature · doi:10.1038/nature04233 · Cited by 21,611 · see citing works
Wan, X., Turner, A. M., Vishwanath, A., & Savrasov, S. Y. (2011) · Physical Review B · doi:10.1103/physrevb.83.205101 · Cited by 4,718 · see citing works
Topological Insulator Materials
Ando, Y. (2013) · Journal of the Physical Society of Japan · doi:10.7566/jpsj.82.102001 · Cited by 1,789 · see citing works
Classification of stable three-dimensional Dirac semimetals with nontrivial topology
Yang, B.-J., & Nagaosa, N. (2014) · Nature Communications · doi:10.1038/ncomms5898 · Cited by 864 · see citing works
Topological crystalline insulator states in Pb1−xSnxSe
Dziawa, P., Kowalski, B. J., Dybko, K., Buczko, R., Szczerbakow, A., Szot, M., Łusakowska, E., Balasubramanian, T., Wojek, B. M., Berntsen, M. H., et al. (2012) · Nature Materials · doi:10.1038/nmat3449 · Cited by 820 · see citing works
Park, J., Lee, G., Wolff-Fabris, F., Koh, Y. Y., Eom, M. J., Kim, Y. K., Farhan, M. A., Jo, Y. J., Kim, C., Shim, J. H., et al. (2011) · Physical Review Letters · doi:10.1103/physrevlett.107.126402 · Cited by 269 · see citing works
Observation of three-dimensional massless Kane fermions in a zinc-blende crystal
Orlita, M., Basko, D. M., Zholudev, M. S., Teppe, F., Knap, W., Gavrilenko, V. I., Mikhailov, N. N., Dvoretskii, S. A., Neugebauer, P., Faugeras, C., et al. (2014) · Nature Physics · doi:10.1038/nphys2857 · Cited by 244 · see citing works
Topological order and absence of band insulators at integer filling in non-symmorphic crystals
Parameswaran, S. A., Turner, A. M., Arovas, D. P., & Vishwanath, A. (2013) · Nature Physics · doi:10.1038/nphys2600 · Cited by 184 · see citing works
Large linear magnetoresistance in the Dirac semimetal TlBiSSe
Novak, M., Sasaki, S., Segawa, K., & Ando, Y. (2015) · Physical Review B · doi:10.1103/physrevb.91.041203 · Cited by 183 · see citing works
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Weyl and Dirac semimetals in three-dimensional solids
Armitage, N. P., Mele, E. J., & Vishwanath, A. (2018) · Reviews of Modern Physics · doi:10.1103/revmodphys.90.015001 · Cited by 4,528 · see citing works
“With regards to DSMs, the most straightforward manifestation of this state will be found at the phase boundary between a topological insulator and a trivial one when the crystal structure preserves both inversion and T .”
BackgroundInfluentialDirac cone protected by non-symmorphic symmetry and three-dimensional Dirac line node in ZrSiS
Schoop, L. M., Ali, M. N., Straßer, C., Topp, A., Varykhalov, A., Marchenko, D., Duppel, V., Parkin, S. S. P., Lotsch, B. V., & Ast, C. R. (2016) · Nature Communications · doi:10.1038/ncomms11696 · Cited by 782 · see citing works
Self-citationTopological Semimetals from First Principles
Gao, H., Venderbos, J. W. F., Kim, Y., & Rappe, A. M. (2019) · Annual Review of Materials Research · doi:10.1146/annurev-matsci-070218-010049 · Cited by 263 · see citing works
Recent Progress in the Study of Topological Semimetals
Bernevig, A., Weng, H., Fang, Z., & Dai, X. (2018) · Journal of the Physical Society of Japan · doi:10.7566/jpsj.87.041001 · Cited by 176 · see citing works
Gao, W., Hao, N., Zheng, F.-W., Ning, W., Wu, M., Zhu, X., Zheng, G., Zhang, J., Lu, J., Zhang, H., et al. (2017) · Physical Review Letters · doi:10.1103/physrevlett.118.256601 · Cited by 142 · see citing works
Topological materials discovery using electron filling constraints
Chen, R., Po, H. C., Neaton, J. B., & Vishwanath, A. (2018) · Nature Physics · doi:10.1038/nphys4277 · Cited by 47 · see citing works
Weyl and Dirac Semimetals in Three Dimensional Solids
Armitage, N. P., Mele, E. J., & Vishwanath, A. (2017) · arXiv
“With regards to DSMs, the most straightforward manifestation of this state will be found at the phase boundary between a topological insulator and a trivial one when the crystal structure preserves both inversion and T .”
BackgroundInfluential
- Authors
- Gibson, Q. D., Schoop, L. M., Muechler, L., Xie, L. S., Hirschberger, M., Ong, N. P., Car, R., & Cava, R. J.
- Affiliations
- Princeton University (US)
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2015-05-22
- Volume
- 91
- Issue
- 20
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W1517527671
- Cited by
- 258
- References
- 9
- Citations by year
- 2026: 14 · 2025: 8 · 2024: 14 · 2023: 22 · 2022: 19 · 2021: 35 · 2020: 23 · 2019: 28 · 2018: 32 · 2017: 26 · 2016: 23 · 2015: 13 · 2013: 1
- FWCI
- 15.93
- Type
- journal article
- Language
- en
- Open access
- green
- arxiv.org
- Licence
- Locations
- Physical Review B (publishedVersion)
- arXiv (Cornell University) (submittedVersion)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
- arXiv (Cornell University)
- Funders
- Army Research Office (W911NF-12-1-0961)
- National Science Foundation (DMR-0819860)
- U.S. Department of Energy (DE-FG02-05ER46201)
- Basic Energy Sciences
- Office of Science
- 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, Dirac cones, materials design, PtBi2, glide planes, screw axis, intermetallic compounds, Cr2B
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