Advanced Science · 2023 · 25 citations · 52 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsElectronic Band StructureElectronic StructureElectronic Structure Of SolidsPhase TransitionsSuperconducting MaterialsTopological MaterialsElectronic Density Of StatesFermi SurfaceQuantum Phase TransitionsTopological Band StructureTopological Semimetallic PhasesTopological SemimetalsTopological SuperconductorsTransition Metal Dichalcogenides
Abstract Topological transition metal dichalcogenides (TMDCs) have attracted much attention due to their potential applications in spintronics and quantum computations. In this work, the structural and electronic properties of topological TMDCs candidate ZrTe 2 are systematically investigated under high pressure. A pressure‐induced Lifshitz transition is evidenced by the change of charge carrier type as well as the Fermi surface. Superconductivity is observed at around 8.3 GPa without structural phase transition. A typical dome‐shape phase diagram is obtained with the maximum T c of 5.6 K for ZrTe 2 . Furthermore, the theoretical calculations suggest the presence of multiple pressure‐induced topological quantum phase transitions, which coexists with emergence of superconductivity. The results demonstrate that ZrTe 2 with nontrivial topology of electronic states displays new ground states upon compression.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17