Hidden Local Symmetry Breaking in a Kagome-Lattice Magnetic Weyl Semimetal

Zhang, Qiang; Zhang, Yuanpeng; Matsuda, Masaaki; Garlea, Vasile Ovidiu; Yan, Jiaqiang; McGuire, Michael A.; Tennant, Alan; Okamoto, Satoshi

doi:10.1021/jacs.2c05665

Hidden Local Symmetry Breaking in a Kagome-Lattice Magnetic Weyl Semimetal

Journal Article · Thu Jul 28 00:00:00 EDT 2022 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.2c05665· OSTI ID:1883889

^[1]; ^[1]; ^[1]; ^[1]; ^[1]; ^[1]; ^[2]; ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

Exploring the relationship between intriguing physical properties and structural complexity is a central topic in studying modern functional materials. Co₃Sn₂S₂, a newly discovered kagome-lattice magnetic Weyl semimetal, has triggered intense interest owing to the intimate coupling between topological semimetallic states and peculiar magnetic properties. However, the origins of the magnetic phase separation and spin glass state below T_C in this ordered compound are two unresolved yet important puzzles in understanding its magnetism. Here, we report the discovery of local symmetry breaking surprisingly co-emerges with the onset of ferromagnetic order in Co₃Sn₂S₂, by a combined use of neutron total scattering and half-polarized neutron diffraction. An anisotropic distortion of the cobalt kagome lattice at the atomic/nano level is also found, with distinct distortion directions among the two Co1 and four Co2 atoms. The mismatch of local and average symmetries occurs below T_C, indicating that Co₃Sn₂S₂ evolves to an intrinsically lattice disordered system when the ferromagnetic order is established. The local symmetry breaking with intrinsic lattice disorder provides new understanding of the puzzling magnetic properties. Our density functional theory (DFT) calculation indicates that the local symmetry breaking is expected to reorient local ferromagnetic moments, unveiling the existence of the ferromagnetic instability associated with the lattice instability. Furthermore, DFT calculation unveils that the local symmetry breaking could affect the Weyl property by breaking the mirror plane. In conclusion, our findings highlight the fundamentally important role that the local symmetry breaking plays in advancing our understanding on the magnetic and topological properties in Co₃Sn₂S₂, which may draw attention to explore the overlooked local symmetry breaking in Co₃Sn₂S₂, its derivatives and more broadly in other topological Dirac/Weyl semimetals and kagome-lattice magnets.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1883889

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 31 Vol. 144; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (58)

Co-emergence of magnetic order and structural fluctuations in magnetite Perversi, Giuditta; Attfield, John Paul University of Edinburgh. School of Chemistry. Attfield Research Group https://doi.org/10.7488/ds/2574	dataset	January 2019
33% Giant Anomalous Hall Current Driven by Both Intrinsic and Extrinsic Contributions in Magnetic Weyl Semimetal Co ₃ Sn ₂ S ₂ Shen, Jianlei; Zeng, Qingqi; Zhang, Shen Advanced Functional Materials, Vol. 30, Issue 32 https://doi.org/10.1002/adfm.202000830	journal	June 2020
Bridging Structural Inhomogeneity to Functionality: Pair Distribution Function Methods for Functional Materials Development Zhu, He; Huang, Yalan; Ren, Jincan Advanced Science, Vol. 8, Issue 6 https://doi.org/10.1002/advs.202003534	journal	January 2021
Band structure diagram paths based on crystallography Hinuma, Yoyo; Pizzi, Giovanni; Kumagai, Yu Computational Materials Science, Vol. 128 https://doi.org/10.1016/j.commatsci.2016.10.015	journal	February 2017
WannierTools: An open-source software package for novel topological materials Wu, QuanSheng; Zhang, ShengNan; Song, Hai-Feng Computer Physics Communications, Vol. 224 https://doi.org/10.1016/j.cpc.2017.09.033	journal	March 2018
Observation of skyrmion-like magnetism in magnetic Weyl semimetal Co3Sn2S2 Wu, H. C.; Sun, P. J.; Hsieh, D. J. Materials Today Physics, Vol. 12 https://doi.org/10.1016/j.mtphys.2020.100189	journal	March 2020
A powder neutron diffraction study of the metallic ferromagnet Co3Sn2S2 Vaqueiro, Paz; Sobany, Gerard G. Solid State Sciences, Vol. 11, Issue 2 https://doi.org/10.1016/j.solidstatesciences.2008.06.017	journal	February 2009
Topological Kagome Magnet Co ₃ Sn ₂ S ₂ Thin Flakes with High Electron Mobility and Large Anomalous Hall Effect Tanaka, M.; Fujishiro, Y.; Mogi, M. Nano Letters, Vol. 20, Issue 10 https://doi.org/10.1021/acs.nanolett.0c02962	journal	September 2020
Local Structure of a Pure Bi A Site Polar Perovskite Revealed by Pair Distribution Function Analysis and Reverse Monte Carlo Modeling: Correlated Off-Axis Displacements in a Rhombohedral Material Chong, Samantha Y.; Szczecinski, Robert J.; Bridges, Craig A. Journal of the American Chemical Society, Vol. 134, Issue 13 https://doi.org/10.1021/ja210698e	journal	March 2012
Probing the Local Site Disorder and Distortion in Pyrochlore High-Entropy Oxides Jiang, Bo; Bridges, Craig A.; Unocic, Raymond R. Journal of the American Chemical Society, Vol. 143, Issue 11 https://doi.org/10.1021/jacs.0c10739	journal	December 2020
Quantum Spin Liquid from a Three-Dimensional Copper-Oxalate Framework Zhang, Bin; Baker, Peter J.; Zhang, Yan Journal of the American Chemical Society, Vol. 140, Issue 1 https://doi.org/10.1021/jacs.7b11179	journal	December 2017
Localized Symmetry Breaking for Tuning Thermal Expansion in ScF ₃ Nanoscale Frameworks Hu, Lei; Qin, Feiyu; Sanson, Andrea Journal of the American Chemical Society, Vol. 140, Issue 13 https://doi.org/10.1021/jacs.8b00885	journal	March 2018
The crystallography of correlated disorder Keen, David A.; Goodwin, Andrew L. Nature, Vol. 521, Issue 7552 https://doi.org/10.1038/nature14453	journal	May 2015
Large anomalous Hall effect in a non-collinear antiferromagnet at room temperature Nakatsuji, Satoru; Kiyohara, Naoki; Higo, Tomoya Nature, Vol. 527, Issue 7577 https://doi.org/10.1038/nature15723	journal	October 2015
Magnetism and local symmetry breaking in a Mott insulator with strong spin orbit interactions Lu, L.; Song, M.; Liu, W. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14407	journal	February 2017
A magnetic topological semimetal Sr1−yMn1−zSb2 (y, z < 0.1) Liu, J. Y.; Hu, J.; Zhang, Q. Nature Materials, Vol. 16, Issue 9 https://doi.org/10.1038/nmat4953	journal	July 2017
Co-emergence of magnetic order and structural fluctuations in magnetite Perversi, Giuditta; Pachoud, Elise; Cumby, James Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-10949-9	journal	June 2019
Tunable anomalous Hall conductivity through volume-wise magnetic competition in a topological kagome magnet Guguchia, Z.; Verezhak, J. A. T.; Gawryluk, D. J. Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-14325-w	journal	January 2020
Exchange biased anomalous Hall effect driven by frustration in a magnetic kagome lattice Lachman, Ella; Murphy, Ryan A.; Maksimovic, Nikola Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-14326-9	journal	January 2020
Observation of a phase transition within the domain walls of ferromagnetic Co3Sn2S2 Lee, Changmin; Vir, Praveen; Manna, Kaustuv Nature Communications, Vol. 13, Issue 1 https://doi.org/10.1038/s41467-022-30460-y	journal	May 2022
The study of magnetic topological semimetals by first principles calculations Zou, Jinyu; He, Zhuoran; Xu, Gang npj Computational Materials, Vol. 5, Issue 1 https://doi.org/10.1038/s41524-019-0237-5	journal	October 2019
Multiple quantum phase transitions of different nature in the topological kagome magnet Co3Sn2−xInxS2 Guguchia, Z.; Zhou, H.; Wang, C. N. npj Quantum Materials, Vol. 6, Issue 1 https://doi.org/10.1038/s41535-021-00352-3	journal	May 2021
Giant anomalous Hall effect in a ferromagnetic kagome-lattice semimetal Liu, Enke; Sun, Yan; Kumar, Nitesh Nature Physics, Vol. 14, Issue 11 https://doi.org/10.1038/s41567-018-0234-5	journal	July 2018
Negative flat band magnetism in a spin–orbit-coupled correlated kagome magnet Yin, Jia-Xin; Zhang, Songtian S.; Chang, Guoqing Nature Physics, Vol. 15, Issue 5 https://doi.org/10.1038/s41567-019-0426-7	journal	February 2019
Transport, magnetic and optical properties of Weyl materials Nagaosa, Naoto; Morimoto, Takahiro; Tokura, Yoshinori Nature Reviews Materials, Vol. 5, Issue 8 https://doi.org/10.1038/s41578-020-0208-y	journal	June 2020
Critical thickness for the emergence of Weyl features in Co3Sn2S2 thin films Ikeda, Junya; Fujiwara, Kohei; Shiogai, Junichi Communications Materials, Vol. 2, Issue 1 https://doi.org/10.1038/s43246-021-00122-5	journal	February 2021
Diffraction studies of local atomic structure in ferroelectric and superconducting oxides Egami, T.; Rosenfeld, H. D.; Toby, B. H. Ferroelectrics, Vol. 120, Issue 1 https://doi.org/10.1080/00150199108216795	journal	August 1991
Quantum spin liquids: a review Savary, Lucile; Balents, Leon Reports on Progress in Physics, Vol. 80, Issue 1 https://doi.org/10.1088/0034-4885/80/1/016502	journal	November 2016
RMCProfile: reverse Monte Carlo for polycrystalline materials Tucker, Matthew G.; Keen, David A.; Dove, Martin T. Journal of Physics: Condensed Matter, Vol. 19, Issue 33 https://doi.org/10.1088/0953-8984/19/33/335218	journal	July 2007
Powder diffraction with spin polarized neutrons Lelièvre-Berna, E.; Wills, A. S.; Bourgeat-Lami, E. Measurement Science and Technology, Vol. 21, Issue 5 https://doi.org/10.1088/0957-0233/21/5/055106	journal	March 2010
Wannier90 as a community code: new features and applications Pizzi, Giovanni; Vitale, Valerio; Arita, Ryotaro Journal of Physics: Condensed Matter, Vol. 32, Issue 16 https://doi.org/10.1088/1361-648X/ab51ff	journal	January 2020
Understanding electronic peculiarities in tetragonal FeSe as local structural symmetry breaking Wang, Zhi; Zhao, Xin-Gang; Koch, Robert Physical Review B, Vol. 102, Issue 23 https://doi.org/10.1103/PhysRevB.102.235121	journal	December 2020
Magnetic structure of the topological semimetal Co3Sn2S2 Soh, Jian-Rui; Yi, ChangJiang; Zivkovic, Ivica Physical Review B, Vol. 105, Issue 9 https://doi.org/10.1103/PhysRevB.105.094435	journal	March 2022
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Local Jahn-Teller distortion in La 1 − x Sr x MnO 3 observed by pulsed neutron diffraction Louca, Despina; Egami, T.; Brosha, E. L. Physical Review B, Vol. 56, Issue 14 https://doi.org/10.1103/PhysRevB.56.R8475	journal	October 1997
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Local atomic structure of superconducting FeSe 1 − x Te x Louca, Despina; Horigane, K.; Llobet, A. Physical Review B, Vol. 81, Issue 13 https://doi.org/10.1103/PhysRevB.81.134524	journal	April 2010
Role of intrinsic disorder in the structural phase transition of magnetoelectric EuTiO 3 Allieta, Mattia; Scavini, Marco; Spalek, Leszek J. Physical Review B, Vol. 85, Issue 18 https://doi.org/10.1103/PhysRevB.85.184107	journal	May 2012
Ferromagnetic ordering and half-metallic state of Sn 2 Co 3 S 2 with the shandite-type structure Schnelle, W.; Leithe-Jasper, A.; Rosner, H. Physical Review B, Vol. 88, Issue 14 https://doi.org/10.1103/PhysRevB.88.144404	journal	October 2013
Low-field anomalous magnetic phase in the kagome-lattice shandite C o 3 S n 2 S 2 Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi Physical Review B, Vol. 96, Issue 1 https://doi.org/10.1103/PhysRevB.96.014429	journal	July 2017
Polymorphous band structure model of gapping in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO Trimarchi, Giancarlo; Wang, Zhi; Zunger, Alex Physical Review B, Vol. 97, Issue 3 https://doi.org/10.1103/PhysRevB.97.035107	journal	January 2018
Anisotropic Dirac Fermions in a Bi Square Net of SrMnBi 2 Park, Joonbum; Lee, G.; Wolff-Fabris, F. Physical Review Letters, Vol. 107, Issue 12 https://doi.org/10.1103/PhysRevLett.107.126402	journal	September 2011
Local Orthorhombicity in the Magnetic C 4 Phase of the Hole-Doped Iron-Arsenide Superconductor Sr 1 − x Na x Fe 2 As 2 Frandsen, Benjamin A.; Taddei, Keith M.; Yi, Ming Physical Review Letters, Vol. 119, Issue 18 https://doi.org/10.1103/PhysRevLett.119.187001	journal	October 2017
Magnetization-Induced Band Shift in Ferromagnetic Weyl Semimetal Co 3 Sn 2 S 2 Yang, Run; Zhang, Tan; Zhou, Liqin Physical Review Letters, Vol. 124, Issue 7 https://doi.org/10.1103/PhysRevLett.124.077403	journal	February 2020
Unusual Exchange Couplings and Intermediate Temperature Weyl State in Co 3 Sn 2 S 2 Zhang, Qiang; Okamoto, Satoshi; Samolyuk, German D. Physical Review Letters, Vol. 127, Issue 11 https://doi.org/10.1103/PhysRevLett.127.117201	journal	September 2021
Atomic-Scale Structure of Random Solid Solutions: Extended X-Ray-Absorption Fine-Structure Study of Ga 1 − x In x As Mikkelsen, J. C.; Boyce, J. B. Physical Review Letters, Vol. 49, Issue 19 https://doi.org/10.1103/PhysRevLett.49.1412	journal	November 1982
Determination of the Local Lattice Distortions in the Cu O 2 Plane of L a 1.85 S r 0.15 Cu O 4 Bianconi, A.; Saini, N. L.; Lanzara, A. Physical Review Letters, Vol. 76, Issue 18 https://doi.org/10.1103/PhysRevLett.76.3412	journal	April 1996
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Magnetic Structure of MnO at 10 K from Total Neutron Scattering Data Goodwin, Andrew L.; Tucker, Matthew G.; Dove, Martin T. Physical Review Letters, Vol. 96, Issue 4 https://doi.org/10.1103/PhysRevLett.96.047209	journal	February 2006
Pressure effect on the anomalous Hall effect of ferromagnetic Weyl semimetal C o 3 S n 2 S 2 Liu, Z. Y.; Zhang, T.; Xu, S. X. Physical Review Materials, Vol. 4, Issue 4 https://doi.org/10.1103/PhysRevMaterials.4.044203	journal	April 2020
FINDSYM : program for identifying the space-group symmetry of a crystal Stokes, Harold T.; Hatch, Dorian M. Journal of Applied Crystallography, Vol. 38, Issue 1 https://doi.org/10.1107/S0021889804031528	journal	January 2005
ISODISPLACE : a web-based tool for exploring structural distortions Campbell, Branton J.; Stokes, Harold T.; Tanner, David E. Journal of Applied Crystallography, Vol. 39, Issue 4 https://doi.org/10.1107/S0021889806014075	journal	July 2006
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
New capabilities for enhancement of RMCProfile : instrumental profiles with arbitrary peak shapes for structural refinements using the reverse Monte Carlo method Zhang, Yuanpeng; Eremenko, Maksim; Krayzman, Victor Journal of Applied Crystallography, Vol. 53, Issue 6 https://doi.org/10.1107/S1600576720013254	journal	November 2020
Entropically Stabilized Local Dipole Formation in Lead Chalcogenides Bozin, E. S.; Malliakas, C. D.; Souvatzis, P. Science, Vol. 330, Issue 6011 https://doi.org/10.1126/science.1192759	journal	December 2010
Fermi-arc diversity on surface terminations of the magnetic Weyl semimetal Co ₃ Sn ₂ S ₂ Morali, Noam; Batabyal, Rajib; Nag, Pranab Kumar Science, Vol. 365, Issue 6459 https://doi.org/10.1126/science.aav2334	journal	September 2019
Magnetic Weyl semimetal phase in a Kagomé crystal Liu, D. F.; Liang, A. J.; Liu, E. K. Science, Vol. 365, Issue 6459 https://doi.org/10.1126/science.aav2873	journal	September 2019
Topological Materials: Weyl Semimetals Yan, Binghai; Felser, Claudia Annual Review of Condensed Matter Physics, Vol. 8, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031016-025458	journal	March 2017

Similar Records

Localized spin-orbit polaron in magnetic Weyl semimetal Co₃Sn₂S₂

Journal Article · Wed Nov 04 19:00:00 EST 2020 · Nature Communications · OSTI ID:1816478

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Band structure
Group theory
Lattices
Order
Symmetry breaking

Hidden Local Symmetry Breaking in a Kagome-Lattice Magnetic Weyl Semimetal

Citation Formats

References (58)

Similar Records

Related Subjects