DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Endless Dirac nodal lines in kagome-metal Ni3In2S2

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 Co3Sn2S2, 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 Ni3In2S2. 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.

Authors:
ORCiD logo; ORCiD logo; ; ORCiD logo; ORCiD logo; ORCiD logo; ; ORCiD logo; ORCiD logo
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; Japan Society for the Promotion of Science (JSPS); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1876664
Alternate Identifier(s):
OSTI ID: 1877489; OSTI ID: 1889170
Report Number(s):
BNL-223421-2022-JAAM
Journal ID: ISSN 2057-3960; 155; PII: 838
Grant/Contract Number:  
AC05-00OR22725; SC0012704; JPMXP0112101001; JP18J23289; JP18H03678; JP22H00108; 21k13865
Resource Type:
Published Article
Journal Name:
npj Computational Materials
Additional Journal Information:
Journal Name: npj Computational Materials Journal Volume: 8 Journal Issue: 1; Journal ID: ISSN 2057-3960
Publisher:
Nature Publishing Group
Country of Publication:
United Kingdom
Language:
English
Subject:
36 MATERIALS SCIENCE; Electronic properties and materials; Electronic structure; electronic properties and materials; electronic structure

Citation Formats

Zhang, Tiantian, Yilmaz, T., Vescovo, E., Li, H. X., Moore, R. G., Lee, H. N., Miao, H., Murakami, S., and McGuire, M. A. Endless Dirac nodal lines in kagome-metal Ni3In2S2. United Kingdom: N. p., 2022. Web. doi:10.1038/s41524-022-00838-z.
Zhang, Tiantian, Yilmaz, T., Vescovo, E., Li, H. X., Moore, R. G., Lee, H. N., Miao, H., Murakami, S., & McGuire, M. A. Endless Dirac nodal lines in kagome-metal Ni3In2S2. United Kingdom. https://doi.org/10.1038/s41524-022-00838-z
Zhang, Tiantian, Yilmaz, T., Vescovo, E., Li, H. X., Moore, R. G., Lee, H. N., Miao, H., Murakami, S., and McGuire, M. A. Tue . "Endless Dirac nodal lines in kagome-metal Ni3In2S2". United Kingdom. https://doi.org/10.1038/s41524-022-00838-z.
@article{osti_1876664,
title = {Endless Dirac nodal lines in kagome-metal Ni3In2S2},
author = {Zhang, Tiantian and Yilmaz, T. and Vescovo, E. and Li, H. X. and Moore, R. G. and Lee, H. N. and Miao, H. and Murakami, S. and McGuire, M. A.},
abstractNote = {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 Co3Sn2S2, 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 Ni3In2S2. 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.},
doi = {10.1038/s41524-022-00838-z},
journal = {npj Computational Materials},
number = 1,
volume = 8,
place = {United Kingdom},
year = {Tue Jul 19 00:00:00 EDT 2022},
month = {Tue Jul 19 00:00:00 EDT 2022}
}

Works referenced in this record:

U1 snRNP regulates cancer cell migration and invasion in vitro
journal, January 2020


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Topological flat bands in frustrated kagome lattice CoSn
journal, August 2020


Fermi-arc diversity on surface terminations of the magnetic Weyl semimetal Co 3 Sn 2 S 2
journal, September 2019


Topological surface Fermi arcs in the magnetic Weyl semimetal Co 3 Sn 2 S 2
journal, June 2018


Observation of planar Hall effect in the ferromagnetic Weyl semimetal Co3Sn2S2
journal, February 2020

  • Shama, ; Gopal, R. K.; Singh, Yogesh
  • Journal of Magnetism and Magnetic Materials, Vol. 502, p. 166547
  • DOI: 10.1016/j.jmmm.2020.166547

Topological Kagome Magnet Co 3 Sn 2 S 2 Thin Flakes with High Electron Mobility and Large Anomalous Hall Effect
journal, September 2020


Diagnosis scheme for topological degeneracies crossing high-symmetry lines
journal, June 2020


Flat bands in the CoSn-type compounds
journal, August 2020


Correlated oxide Dirac semimetal in the extreme quantum limit
journal, September 2021


Predicting topological materials: symmetry-based indicator theories and beyond
journal, July 2021

  • Zhang, Tiantian; Murakami, Shuichi
  • Journal of Physics D: Applied Physics, Vol. 54, Issue 41
  • DOI: 10.1088/1361-6463/ac13f4

Massive Dirac fermions in a ferromagnetic kagome metal
journal, March 2018


Competing electronic orders on kagome lattices at van Hove filling
journal, March 2013


Maximally localized generalized Wannier functions for composite energy bands
journal, November 1997


Topological nodal semimetals
journal, December 2011


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


Signatures of Weyl Fermion Annihilation in a Correlated Kagome Magnet
journal, December 2021


Halbantiperowskite: Zur Struktur der Shandite M3/2AS (M = Co, Ni; A = In, Sn) und ihren Typ-Antitypbeziehungen
journal, June 2005

  • Weihrich, Richard; Anusca, Irina; Zabel, Manfred
  • Zeitschrift für anorganische und allgemeine Chemie, Vol. 631, Issue 8
  • DOI: 10.1002/zaac.200400561

New kagome prototype materials: discovery of KV 3 Sb 5 , RbV 3 Sb 5 , and CsV 3 Sb 5
journal, September 2019


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

  • Fukui, Takahiro; Hatsugai, Yasuhiro
  • Journal of the Physical Society of Japan, Vol. 76, Issue 5
  • DOI: 10.1143/JPSJ.76.053702

In situ click chemistry generation of cyclooxygenase-2 inhibitors
journal, February 2017


Dirac cone, flat band and saddle point in kagome magnet YMn6Sn6
journal, May 2021


Unconventional Fermi Surface Instabilities in the Kagome Hubbard Model
journal, March 2013


Topological nodal line semimetals
journal, November 2016


Giant and anisotropic many-body spin–orbit tunability in a strongly correlated kagome magnet
journal, September 2018


Fractional Quantum Hall States at Zero Magnetic Field
journal, June 2011


High-Temperature Fractional Quantum Hall States
journal, June 2011


Nearly Flatbands with Nontrivial Topology
journal, June 2011


Orbital-selective Dirac fermions and extremely flat bands in frustrated kagome-lattice metal CoSn
journal, August 2020


Magnetic Weyl semimetal phase in a Kagomé crystal
journal, September 2019


Orbital characters determined from Fermi surface intensity patterns using angle-resolved photoemission spectroscopy
journal, June 2012


Quantum-limit Chern topological magnetism in TbMn6Sn6
journal, July 2020


Topological insulators with inversion symmetry
journal, July 2007


Topological Phase Transitions in Strongly Correlated Systems: Application to Co3Sn2S2
journal, October 2021


Emerging chiral edge states from the confinement of a magnetic Weyl semimetal in Co 3 Sn 2 S 2
journal, March 2020


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Signatures for half-metallicity and nontrivial surface states in the kagome lattice Weyl semimetal Co 3 Sn 2 S 2
journal, June 2019


Inhomogeneous Electron Gas
journal, November 1964


Zero‐Field Nernst Effect in a Ferromagnetic Kagome‐Lattice Weyl‐Semimetal Co 3 Sn 2 S 2
journal, April 2019


Topological quantum chemistry
journal, July 2017

  • Bradlyn, Barry; Elcoro, L.; Cano, Jennifer
  • Nature, Vol. 547, Issue 7663
  • DOI: 10.1038/nature23268

Dirac fermions and flat bands in the ideal kagome metal FeSn
journal, December 2019


Wide applicability of high- T c pairing originating from coexisting wide and incipient narrow bands in quasi-one-dimensional systems
journal, January 2018


On the anisotropies of magnetization and electronic transport of magnetic Weyl semimetal Co 3 Sn 2 S 2
journal, November 2019

  • Shen, Jianlei; Zeng, Qingqi; Zhang, Shen
  • Applied Physics Letters, Vol. 115, Issue 21
  • DOI: 10.1063/1.5125722

Linear magnetoresistance in metals: Guiding center diffusion in a smooth random potential
journal, November 2015


Tuning the flat bands of the kagome metal CoSn with Fe, In, or Ni doping
journal, April 2021


Epitaxial Growth and Transport Properties of Magnetic Weyl Semimetal Co 3 Sn 2 S 2 Thin Films
journal, December 2019


Fractional quantum Hall effect in the absence of Landau levels
journal, July 2011

  • Sheng, D. N.; Gu, Zheng-Cheng; Sun, Kai
  • Nature Communications, Vol. 2, Issue 1
  • DOI: 10.1038/ncomms1380