3D Analogs of Square-Net Nodal Line Semimetals: Band Topology of Cubic LaIn3

Samuel M.L. Teicher, Jasper F. Linnartz, Ratnadwip Singha, Davide Pizzirani, Sebastian Klemenz, Steffen Wiedmann, Jennifer Cano, Leslie M. Schoop

Research output: Contribution to journalArticlepeer-review

Abstract

In two-dimensional (2D) systems, the origins of topological band structure have been linked to simple chemical bonding models. Here, we investigate the three-dimensional (3D) metal LaIn3 and show that its electronic structure and band topology are well-modeled using a tight-binding model consisting of only In p orbitals. We predict this material to be a nodal line semimetal with Dirac crossings and topological surface states at the experimental Fermi level. This compound can be considered a 3D chemical analog of 2D square-net semimetals in the ZrSiS family, with primary px,y orbital contributions and cubic connectivity. LaIn3 and related auricupride metals are established superconductors and may provide a valuable platform for exploring the interplay between the topological electronic structure and superconductivity.

Original languageEnglish (US)
JournalChemistry of Materials
DOIs
StateAccepted/In press - 2022

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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