Title: Endless Dirac nodal lines in kagome-metal Ni3In2S2

Journal Article · · npj Computational Materials

Abstract Topological semimetals are a frontier of quantum materials. In multiband electronic systems, topological band crossings can form closed curves, known as nodal lines. In the presence of spin–orbit coupling and/or symmetry-breaking operations, topological nodal lines can break into Dirac/Weyl nodes and give rise to interesting transport properties, such as the chiral anomaly and giant anomalous Hall effect. Recently, the time-reversal symmetry-breaking induced Weyl fermions are observed in a kagome-metal Co 3 Sn 2 S 2 , triggering interests in nodal-line excitations in multiband kagome systems. Here, using first-principles calculations and symmetry-based indicator theories, we find six endless nodal lines along the stacking direction of kagome layers and two nodal rings in the kagome plane in nonmagnetic Ni 3 In 2 S 2 . The linear dipsersive electronic structure, confirmed by angle-resolved photoemission spectroscopy, induces large magnetoresistance up to 2000% at 9 T. Our results establish a diverse topological landscape of multiband kagome metals.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
Japan Society for the Promotion of Science (JSPS); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
Grant/Contract Number:
AC05-00OR22725; SC0012704
OSTI ID:
1876664
Report Number(s):
BNL-223421-2022-JAAM; 155; PII: 838
Journal Information:
npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 8; ISSN 2057-3960
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United Kingdom
Language:
English

References (49)

Zero‐Field Nernst Effect in a Ferromagnetic Kagome‐Lattice Weyl‐Semimetal Co 3 Sn 2 S 2 journal April 2019
Halbantiperowskite: Zur Struktur der Shandite M3/2AS (M = Co, Ni; A = In, Sn) und ihren Typ-Antitypbeziehungen journal June 2005
Observation of planar Hall effect in the ferromagnetic Weyl semimetal Co3Sn2S2 journal February 2020
Topological Kagome Magnet Co 3 Sn 2 S 2 Thin Flakes with High Electron Mobility and Large Anomalous Hall Effect journal September 2020
Epitaxial Growth and Transport Properties of Magnetic Weyl Semimetal Co 3 Sn 2 S 2 Thin Films journal December 2019
Topological quantum chemistry journal July 2017
Massive Dirac fermions in a ferromagnetic kagome metal journal March 2018
Fractional quantum Hall effect in the absence of Landau levels journal July 2011
In situ click chemistry generation of cyclooxygenase-2 inhibitors journal February 2017
U1 snRNP regulates cancer cell migration and invasion in vitro journal January 2020
Orbital-selective Dirac fermions and extremely flat bands in frustrated kagome-lattice metal CoSn journal August 2020
Topological flat bands in frustrated kagome lattice CoSn journal August 2020
Dirac cone, flat band and saddle point in kagome magnet YMn6Sn6 journal May 2021
Dirac fermions and flat bands in the ideal kagome metal FeSn journal December 2019
Giant and anisotropic many-body spin–orbit tunability in a strongly correlated kagome magnet journal September 2018
Quantum-limit Chern topological magnetism in TbMn6Sn6 journal July 2020
On the anisotropies of magnetization and electronic transport of magnetic Weyl semimetal Co 3 Sn 2 S 2 journal November 2019
Predicting topological materials: symmetry-based indicator theories and beyond journal July 2021
Topological nodal line semimetals journal November 2016
Inhomogeneous Electron Gas journal November 1964
Pressure-tunable large anomalous Hall effect of the ferromagnetic kagome-lattice Weyl semimetal Co 3 Sn 2 S 2 journal October 2019
Emerging chiral edge states from the confinement of a magnetic Weyl semimetal in Co 3 Sn 2 S 2 journal March 2020
Flat bands in the CoSn-type compounds journal August 2020
First-principles investigation of magnetic and transport properties in hole-doped shandite compounds Co 3 In x Sn 2 − x S 2 journal May 2021
Extremely large magnetoresistance in high-mobility SrNbO 3 / SrTiO 3 heterostructures journal October 2021
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Maximally localized generalized Wannier functions for composite energy bands journal November 1997
Topological insulators with inversion symmetry journal July 2007
Topological nodal semimetals journal December 2011
Orbital characters determined from Fermi surface intensity patterns using angle-resolved photoemission spectroscopy journal June 2012
Competing electronic orders on kagome lattices at van Hove filling journal March 2013
Linear magnetoresistance in metals: Guiding center diffusion in a smooth random potential journal November 2015
Wide applicability of high- T c pairing originating from coexisting wide and incipient narrow bands in quasi-one-dimensional systems journal January 2018
Topological surface Fermi arcs in the magnetic Weyl semimetal Co 3 Sn 2 S 2 journal June 2018
Signatures for half-metallicity and nontrivial surface states in the kagome lattice Weyl semimetal Co 3 Sn 2 S 2 journal June 2019
High-Temperature Fractional Quantum Hall States journal June 2011
Nearly Flatbands with Nontrivial Topology journal June 2011
Fractional Quantum Hall States at Zero Magnetic Field journal June 2011
Unconventional Fermi Surface Instabilities in the Kagome Hubbard Model journal March 2013
Signatures of Weyl Fermion Annihilation in a Correlated Kagome Magnet journal December 2021
Generalized Gradient Approximation Made Simple journal October 1996
New kagome prototype materials: discovery of KV 3 Sb 5 , RbV 3 Sb 5 , and CsV 3 Sb 5 journal September 2019
Tuning the flat bands of the kagome metal CoSn with Fe, In, or Ni doping journal April 2021
Diagnosis scheme for topological degeneracies crossing high-symmetry lines journal June 2020
Correlated oxide Dirac semimetal in the extreme quantum limit journal September 2021
Fermi-arc diversity on surface terminations of the magnetic Weyl semimetal Co 3 Sn 2 S 2 journal September 2019
Magnetic Weyl semimetal phase in a Kagomé crystal journal September 2019
Topological Phase Transitions in Strongly Correlated Systems: Application to Co3Sn2S2 journal October 2021
Quantum Spin Hall Effect in Three Dimensional Materials: Lattice Computation of Z 2 Topological Invariants and Its Application to Bi and Sb journal May 2007