Journal Article

FZJ-2015-06866

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Two-Dimensional Topological Crystalline Insulator and Topological Phase Transition in TlSe and TlS Monolayers

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

2015
ACS Publ. Washington, DC

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Please use a persistent id in citations: doi:10.1021/acs.nanolett.5b02299

Abstract: The properties that distinguish topological crystalline insulator (TCI) and topological insulator (TI) rely on crystalline symmetry and time-reversal symmetry, respectively, which encodes different bulk and surface/edge properties. Here, we predict theoretically that electron-doped TlM (M = S and Se) (110) monolayers realize a family of two-dimensional (2D) TCIs characterized by mirror Chern number CM = −2. Remarkably, under uniaxial strain (≈ 1%), a topological phase transition between 2D TCI and 2D TI is revealed with the calculated spin Chern number CS = −1 for the 2D TI. Using spin-resolved edge states analysis, we show different edge-state behaviors, especially at the time reversal invariant points. Finally, a TlBiSe2/NaCl quantum well is proposed to realize an undoped 2D TCI with inverted gap as large as 0.37 eV, indicating the high possibility for room-temperature observation.

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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)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)
3. Magnetic Anisotropy of Metallic Layered Systems and Nanostructures (jiff13_20131101) (jiff13_20131101)

Appears in the scientific report 2015

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; IF >= 10 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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