TY - JOUR
T1 - 3D Analogs of Square-Net Nodal Line Semimetals
T2 - Band Topology of Cubic LaIn3
AU - Teicher, Samuel M.L.
AU - Linnartz, Jasper F.
AU - Singha, Ratnadwip
AU - Pizzirani, Davide
AU - Klemenz, Sebastian
AU - Wiedmann, Steffen
AU - Cano, Jennifer
AU - Schoop, Leslie M.
N1 - Funding Information:
This work was supported by the UC Santa Barbara NSF Quantum Foundry funded via the Q-AMASE-i program under award DMR-1906325. The authors acknowledge the use of the computing facilities of the Center for Scientific Computing at UC Santa Barbara supported by NSF CNS 1725797 and NSF DMR 1720256. SMLT has been supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1650114. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation. LMS acknowledges support from the Arnold and Mabel Beckman Foundation through a Beckman Young Investigator grant, the David and Lucille Packard Foundation, the Sloan Foundation, and the Gordon and Betty Moore Foundation’s EPIQS initiative through Grant GBMF9064. J.C. acknowledges the support of the Flatiron Institute, a division of Simons Foundation, and support from the National Science Foundation under Grant No. DMR-1942447. This work was supported by HFML-RU/NWO-I, a member of the European Magnetic Field Laboratory (EMFL). a
Publisher Copyright:
© 2022 American Chemical Society.
PY - 2022
Y1 - 2022
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85130725518&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85130725518&partnerID=8YFLogxK
U2 - 10.1021/acs.chemmater.2c00175
DO - 10.1021/acs.chemmater.2c00175
M3 - Article
AN - SCOPUS:85130725518
SN - 0897-4756
JO - Chemistry of Materials
JF - Chemistry of Materials
ER -