Electronic Lieb lattice signatures embedded in two-dimensional polymers with a square lattice

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Yingying Zhang - , Chair of Theoretical Chemistry, TUD Dresden University of Technology, Helmholtz-Zentrum Dresden-Rossendorf, Center for Advanced Systems Understanding (CASUS) (Author)
  • Shuangjie Zhao - , Chair of Theoretical Chemistry, TUD Dresden University of Technology (Author)
  • Miroslav Položij - , Chair of Theoretical Chemistry, TUD Dresden University of Technology, Helmholtz-Zentrum Dresden-Rossendorf, Center for Advanced Systems Understanding (CASUS) (Author)
  • Thomas Heine - , Chair of Theoretical Chemistry, TUD Dresden University of Technology, Helmholtz-Zentrum Dresden-Rossendorf, Center for Advanced Systems Understanding (CASUS), Yonsei University (Author)

Abstract

Exotic band features, such as Dirac cones and flat bands, arise directly from the lattice symmetry of materials. The Lieb lattice is one of the most intriguing topologies, because it possesses both Dirac cones and flat bands which intersect at the Fermi level. However, the synthesis of Lieb lattice materials remains a challenging task. Here, we explore two-dimensional polymers (2DPs) derived from zinc-phthalocyanine (ZnPc) building blocks with a square lattice (sql) as potential electronic Lieb lattice materials. By systematically varying the linker length (ZnPc-xP), we found that some ZnPc-xP exhibit a characteristic Lieb lattice band structure. Interestingly though, fes bands are also observed in ZnPc-xP. The coexistence of fes and Lieb in sql 2DPs challenges the conventional perception of the structure-electronic structure relationship. In addition, we show that manipulation of the Fermi level, achieved by electron removal or atom substitution, effectively preserves the unique characteristics of Lieb bands. The Lieb Dirac bands of ZnPc-4P shows a non-zero Chern number. Our discoveries provide a fresh perspective on 2DPs and redefine the search for Lieb lattice materials into a well-defined chemical synthesis task.

Details

Original languageEnglish
Pages (from-to)5757-5763
Number of pages7
JournalChemical science
Volume15
Issue number15
Publication statusPublished - 12 Mar 2024
Peer-reviewedYes

Keywords

ASJC Scopus subject areas