Papers › Commensurate stacking phase transitions in an intercalated transition metal dichalcogenide
Commensurate stacking phase transitions in an intercalated transition metal dichalcogenide
Xiaohui Yang, Jin-Ke Bao, Zhefeng Lou, Peng Li, Chenxi Jiang, Jialu Wang, Tulai Sun, Yabin Liu, Wei Guo, Sitaram Ramakrishnan, Surya Rohith Kotla, Martin Tolkiehn, Carsten Paulmann, Guang-Han Cao, Yuefeng Nie, Wenbin Li, Yang Liu, Sander van Smaalen, Xiao Lin, Zhu-An Xu
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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(Ta₁₊ₓSe₂)₂, the first 124-phase, is reported. Pb(Ta₁₊ₓSe₂)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 phase with ABC stacking and symmetry R3m to an intermediate phase with AB stacking and P3m1, and finally to a low temperature phase with again symmetry R3m, 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 temperature, bulk superconductivity with T_c≈ 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. Our results demonstrate the possibility to realize higher order metal intercalated phases of TMDCs, advance our knowledge of polymorphic transitions and may inspire stacking order engineering in TMDCs and beyond.
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