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000474173 1001_ $$00000-0002-4139-1429$$aYang, Xiaohui$$b0
000474173 245__ $$aCommensurate Stacking Phase Transitions in an Intercalated Transition Metal Dichalcogenide
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000474173 520__ $$aIntercalation and stacking-order modulation are two active ways in manipulating the interlayer interaction of transition metal dichalcogenides (TMDCs), which lead to a variety of emergent phases and allow for engineering material properties. Herein, the growth of Pb-intercalated TMDCs–Pb(Ta$_{1+x}$Se$_2$)$_2$, the first 124-phase, is reported. Pb(Ta$_{1+x}$Se$_2$)$_2$ exhibits a unique two-step first-order structural phase transition at around 230 K. The transitions are solely associated with the stacking degree of freedom, evolving from a high-temperature (high-T) phase with ABC stacking and R3m symmetry to an intermediate phase with AB stacking and P3m1, and finally to a low-temperature (low-T) phase again with R$_3$msymmetry, but with ACB stacking. Each step involves a rigid slide of building blocks by a vector [1/3, 2/3, 0]. Intriguingly, gigantic lattice contractions occur at the transitions on warming. At low-T, bulk superconductivity with Tc ≈ 1.8 K is observed. The underlying physics of the structural phase transitions are discussed from first-principle calculations. The symmetry analysis reveals topological nodal lines in the band structure. The results demonstrate the possibility of realizing higher-order metal-intercalated phases of TMDCs and advance the knowledge of polymorphic transitions, and may inspire stacking-order engineering in TMDCs and beyond.
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000474173 7001_ $$0P:(DE-H253)PIP1092001$$aBao, Jin-Ke$$b1
000474173 7001_ $$00000-0001-6764-0318$$aLou, Zhefeng$$b2
000474173 7001_ $$0P:(DE-HGF)0$$aLi, Peng$$b3
000474173 7001_ $$0P:(DE-HGF)0$$aJiang, Chenxi$$b4
000474173 7001_ $$00000-0002-0927-9242$$aWang, Jialu$$b5
000474173 7001_ $$0P:(DE-HGF)0$$aSun, Tulai$$b6
000474173 7001_ $$0P:(DE-HGF)0$$aLiu, Yabin$$b7
000474173 7001_ $$0P:(DE-HGF)0$$aGuo, Wei$$b8
000474173 7001_ $$0P:(DE-H253)PIP1025307$$aRamakrishnan, Sitaram$$b9
000474173 7001_ $$0P:(DE-H253)PIP1090886$$aKotla, Surya Rohith$$b10
000474173 7001_ $$0P:(DE-H253)PIP1007498$$aTolkiehn, Martin$$b11
000474173 7001_ $$0P:(DE-H253)PIP1001761$$aPaulmann, Carsten$$b12
000474173 7001_ $$0P:(DE-HGF)0$$aCao, Guang-Han$$b13
000474173 7001_ $$0P:(DE-HGF)0$$aNie, Yuefeng$$b14
000474173 7001_ $$0P:(DE-H253)PIP1005345$$aLi, Wenbin$$b15
000474173 7001_ $$0P:(DE-HGF)0$$aLiu, Yang$$b16
000474173 7001_ $$0P:(DE-H253)PIP1008136$$avan Smaalen, Sander$$b17$$eCorresponding author
000474173 7001_ $$0P:(DE-HGF)0$$aLin, Xiao$$b18$$eCorresponding author
000474173 7001_ $$0P:(DE-HGF)0$$aXu, Zhu-An$$b19$$eCorresponding author
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