Journal Article

FZJ-2017-06568

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Two-dimensional topological nodal line semimetal in layered X 2 Y ( X = Ca , Sr, and Ba; Y = As , Sb, and Bi)

Niu, C. (Corresponding author)FZJ* ; Buhl, P.FZJ* ; Bihlmayer, G.FZJ* ; Wortmann, D.FZJ* ; Dai, Y. ; Blügel, S.FZJ* ; Mokrousov, Y.FZJ*

2017
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/15287  doi:10.1103/PhysRevB.95.235138

Abstract: 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.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)
4. JARA - HPC (JARA-HPC)

Research Program(s):

1. 522 - Controlling Spin-Based Phenomena (POF3-522) (POF3-522)
2. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
3. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)
4. Magnetic Anisotropy of Metallic Layered Systems and Nanostructures (jiff13_20131101) (jiff13_20131101)
5. Topological transport in real materials from ab initio (jias12_20121101) (jias12_20121101)

Appears in the scientific report 2017

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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