Journal Article

PUBDB-2022-00563

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Commensurate Stacking Phase Transitions in an Intercalated Transition Metal Dichalcogenide

Yang, X. ; Bao, J.-K.Extern* ; Lou, Z. ; Li, P. ; Jiang, C. ; Wang, J. ; Sun, T. ; Liu, Y. ; Guo, W. ; Ramakrishnan, S.Extern* ; Kotla, S. R.Extern* ; Tolkiehn, M.DESY* ; Paulmann, C.Extern* ; Cao, G.-H. ; Nie, Y. ; Li, W.Extern* ; Liu, Y. ; van Smaalen, S. (Corresponding author)Extern* ; Lin, X. (Corresponding author) ; Xu, Z.-A. (Corresponding author)

2022
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/adma.202108550

Abstract: Intercalation and stacking-order modulation are two active ways in manipulating the interlayer interaction of transition metal dichalcogenides (TMDCs), which lead to a variety of emergent phases and allow for engineering material properties. Herein, the growth of Pb-intercalated TMDCs–Pb(Ta$_{1+x}$Se$_2$)$_2$, the first 124-phase, is reported. Pb(Ta$_{1+x}$Se$_2$)$_2$ exhibits a unique two-step first-order structural phase transition at around 230 K. The transitions are solely associated with the stacking degree of freedom, evolving from a high-temperature (high-T) phase with ABC stacking and R3m symmetry to an intermediate phase with AB stacking and P3m1, and finally to a low-temperature (low-T) phase again with R$_3$msymmetry, but with ACB stacking. Each step involves a rigid slide of building blocks by a vector [1/3, 2/3, 0]. Intriguingly, gigantic lattice contractions occur at the transitions on warming. At low-T, bulk superconductivity with Tc ≈ 1.8 K is observed. The underlying physics of the structural phase transitions are discussed from first-principle calculations. The symmetry analysis reveals topological nodal lines in the band structure. The results demonstrate the possibility of realizing higher-order metal-intercalated phases of TMDCs and advance the knowledge of polymorphic transitions, and may inspire stacking-order engineering in TMDCs and beyond.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. PETRA-D (FS-PETRA-D)
3. externe Institute im Bereich Photon Science (UHH Geo)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)

Experiment(s):

1. PETRA Beamline P24 (PETRA III)

Appears in the scientific report 2021

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Essential Science Indicators ; IF >= 25 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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