This title appears in the Scientific Report :
2017
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.95.235138 in citations.
Please use the identifier: http://hdl.handle.net/2128/15287 in citations.
Two-dimensional topological nodal line semimetal in layered X 2 Y ( X = Ca , Sr, and Ba; Y = As , Sb, and Bi)
Two-dimensional topological nodal line semimetal in layered X 2 Y ( X = Ca , Sr, and Ba; Y = As , Sb, and Bi)
In topological semimetals the Dirac points can form zero-dimensional and one-dimensional manifolds, as predicted for Dirac/Weyl semimetals and topological nodal line semimetals, respectively. Here, based on first-principles calculations, we predict a topological nodal line semimetal phase in the two...
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Personal Name(s): | Niu, Chengwang (Corresponding author) |
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Buhl, Patrick / Bihlmayer, Gustav / Wortmann, Daniel / Dai, Ying / Blügel, Stefan / Mokrousov, Yuriy | |
Contributing Institute: |
JARA - HPC; JARA-HPC JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; PGI-1 Quanten-Theorie der Materialien; IAS-1 |
Published in: | Physical Review B Physical review / B, 95 95 (2017 2017) 23 23, S. 235138 235138 |
Imprint: |
Woodbury, NY
Inst.
2017
|
DOI: |
10.1103/PhysRevB.95.235138 |
Document Type: |
Journal Article |
Research Program: |
Topological transport in real materials from ab initio Magnetic Anisotropy of Metallic Layered Systems and Nanostructures Controlling Configuration-Based Phenomena Controlling Spin-Based Phenomena Controlling Spin-Based Phenomena |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/15287 in citations.
In topological semimetals the Dirac points can form zero-dimensional and one-dimensional manifolds, as predicted for Dirac/Weyl semimetals and topological nodal line semimetals, respectively. Here, based on first-principles calculations, we predict a topological nodal line semimetal phase in the two-dimensional compounds X2Y (X = Ca, Sr, and Ba; Y = As, Sb, and Bi) in the absence of spin-orbit coupling (SOC) with a band inversion at the M point. A nontrivial Z2 invariant of Z2=1 remains although a tiny gap appears at the nodal line when SOC is included. The mirror symmetry as well as the electrostatic interaction, which can be engineered via strain, are responsible for the nontrivial phase. In addition, the nontrivial phase is further explicitly confirmed via the existence of exotic edge states without and with SOC. |