Unusual Exchange Couplings and Intermediate Temperature Weyl State in Co3Sn2S2

Zhang, Qiang; Okamoto, Satoshi; Samolyuk, German D.; Stone, Matthew B.; Kolesnikov, Alexander I.; Xue, Rui; Yan, Jiaqiang; McGuire, Michael A.; Mandrus, David; Tennant, D. Alan

doi:10.1103/physrevlett.127.117201

Title: Unusual Exchange Couplings and Intermediate Temperature Weyl State in ${Co}_{3} {Sn}_{2} S_{2}$

Journal Article · Tue Sep 07 00:00:00 EDT 2021 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.127.117201· OSTI ID:1820837

^[1];

^[2];

^[3];

^[1];

^[1]; Xue, Rui ^[4];

^[3];

^[2]; Mandrus, David ^[5];

^[6]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Quantum Science Center, Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Univ. of Tennessee, Knoxville, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division & Shull Wollan Center; Quantum Science Center, Oak Ridge, TN (United States)

Understanding magnetism and its possible correlations to topological properties has emerged to the forefront as a difficult topic in studying magnetic Weyl semimetals. ${Co}_{3} {Sn}_{2} S_{2}$ is a newly discovered magnetic Weyl semimetal with a kagome lattice of cobalt ions and has triggered intense interest for rich fantastic phenomena. In this study, we report the magnetic exchange couplings of ${Co}_{3} {Sn}_{2} S_{2}$ using inelastic neutron scattering and two density functional theory (DFT) based methods: constrained magnetism and multiple-scattering Green’s function methods. ${Co}_{3} {Sn}_{2} S_{2}$ exhibits highly anisotropic magnon dispersions and linewidths below $T_{C}$ , and paramagnetic excitations above $T_{C}$ . The spin-wave spectra in the ferromagnetic ground state is well described by the dominant third-neighbor “across-hexagon” $J_{d}$ model. Our density functional theory calculations reveal that both the symmetry-allowed 120° antiferromagnetic orders support Weyl points in the intermediate temperature region, with distinct numbers and the locations of Weyl points. Our study highlights the important role ${Co}_{3} {Sn}_{2} S_{2}$ can play in advancing our understanding of kagome physics and exploring the interplay between magnetism and band topology.

View Accepted Manuscript (DOE)

Cite

Export

Save

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

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

Grant/Contract Number:: AC05-00OR22725; GBMF9069

OSTI ID:: 1820837

Journal Information:: Physical Review Letters, Vol. 127, Issue 11; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (41)

Intrinsic peculiarities of real material realizations of a spin-1/2 kagomé lattice Janson, O.; Richter, J.; Rosner, H. Journal of Physics: Conference Series, Vol. 145 https://doi.org/10.1088/1742-6596/145/1/012008	journal	January 2009
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
Kapellasite: A Kagome Quantum Spin Liquid with Competing Interactions Fåk, B.; Kermarrec, E.; Messio, L. Physical Review Letters, Vol. 109, Issue 3 https://doi.org/10.1103/PhysRevLett.109.037208	journal	July 2012
Large intrinsic anomalous Hall effect in half-metallic ferromagnet Co3Sn2S2 with magnetic Weyl fermions Wang, Qi; Xu, Yuanfeng; Lou, Rui Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06088-2	journal	September 2018
Spin liquids in frustrated magnets Balents, Leon Nature, Vol. 464, Issue 7286 https://doi.org/10.1038/nature08917	journal	March 2010
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
Anisotropic exchange coupling in diluted magnetic semiconductors: Ab initio spin-density functional theory Ebert, H.; Mankovsky, S. Physical Review B, Vol. 79, Issue 4 https://doi.org/10.1103/PhysRevB.79.045209	journal	January 2009
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
Distinct Spin Liquids and Their Transitions in Spin- $1 / 2$ $X X Z$ Kagome Antiferromagnets He, Yin-Chen; Chen, Yan Physical Review Letters, Vol. 114, Issue 3 https://doi.org/10.1103/PhysRevLett.114.037201	journal	January 2015
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
Topological surface Fermi arcs in the magnetic Weyl semimetal Co 3 Sn 2 S 2 Xu, Qiunan; Liu, Enke; Shi, Wujun Physical Review B, Vol. 97, Issue 23 https://doi.org/10.1103/PhysRevB.97.235416	journal	June 2018
Magnetic order in a spin- $\frac{1}{2}$ interpolating kagome/square Heisenberg antiferromagnet Bishop, R. F.; Li, P. H. Y.; Farnell, D. J. J. Physical Review B, Vol. 82, Issue 10 https://doi.org/10.1103/PhysRevB.82.104406	journal	September 2010
Local spin density functional approach to the theory of exchange interactions in ferromagnetic metals and alloys Liechtenstein, A. I.; Katsnelson, M. I.; Antropov, V. P. Journal of Magnetism and Magnetic Materials, Vol. 67, Issue 1 https://doi.org/10.1016/0304-8853(87)90721-9	journal	May 1987
Magnetic topological kagome systems Legendre, Julian; Le Hur, Karyn Physical Review Research, Vol. 2, Issue 2 https://doi.org/10.1103/PhysRevResearch.2.022043	journal	May 2020
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
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
First-principles exchange interactions in Fe, Ni, and Co van Schilfgaarde, M.; Antropov, V. P. Journal of Applied Physics, Vol. 85, Issue 8 https://doi.org/10.1063/1.370495	journal	April 1999
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
Dirac structure, RVB, and Goldstone modes in the kagomé antiferromagnet Hastings, M. B. Physical Review B, Vol. 63, Issue 1 https://doi.org/10.1103/PhysRevB.63.014413	journal	December 2000
Anomalous magnetic behavior of ${Ba}_{2} {CoO}_{4}$ with isolated ${CoO}_{4}$ tetrahedra Zhang, Qiang; Cao, Guixin; Ye, Feng Physical Review B, Vol. 99, Issue 9 https://doi.org/10.1103/PhysRevB.99.094416	journal	March 2019
Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications Ebert, H.; Ködderitzsch, D.; Minár, J. Reports on Progress in Physics, Vol. 74, Issue 9 https://doi.org/10.1088/0034-4885/74/9/096501	journal	August 2011
Spin Dynamics and Dirac Nodes in a Kagome Lattice Boyko, Daniel; Saxena, Avadh; Haraldsen, Jason T. Annalen der Physik, Vol. 532, Issue 2 https://doi.org/10.1002/andp.201900350	journal	December 2019
Spin-Liquid Ground State of the S = 1/2 Kagome Heisenberg Antiferromagnet Yan, S.; Huse, D. A.; White, S. R. Science, Vol. 332, Issue 6034 https://doi.org/10.1126/science.1201080	journal	April 2011
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
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
Massive Dirac fermions in a ferromagnetic kagome metal Ye, Linda; Kang, Mingu; Liu, Junwei Nature, Vol. 555, Issue 7698 https://doi.org/10.1038/nature25987	journal	March 2018
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
Modified Kagome Physics in the Natural Spin- $1 / 2$ Kagome Lattice Systems: Kapellasite ${Cu}_{3} Zn (OH)_{6} {Cl}_{2}$ and Haydeeite ${Cu}_{3} Mg (OH)_{6} {Cl}_{2}$ Janson, O.; Richter, J.; Rosner, H. Physical Review Letters, Vol. 101, Issue 10 https://doi.org/10.1103/PhysRevLett.101.106403	journal	September 2008
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J. Physical Review B, Vol. 52, Issue 8 https://doi.org/10.1103/PhysRevB.52.R5467	journal	August 1995
Dynamic Scaling in the Susceptibility of the Spin- $\frac{1}{2}$ Kagome Lattice Antiferromagnet Herbertsmithite Helton, J. S.; Matan, K.; Shores, M. P. Physical Review Letters, Vol. 104, Issue 14 https://doi.org/10.1103/PhysRevLett.104.147201	journal	April 2010
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
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
Haydeeite: A spin- $\frac{1}{2}$ kagome ferromagnet Boldrin, D.; Fåk, B.; Enderle, M. Physical Review B, Vol. 91, Issue 22 https://doi.org/10.1103/PhysRevB.91.220408	journal	June 2015
Spin excitations and spin wave gap in the ferromagnetic Weyl semimetal Co3Sn2S2 Liu, Chang; Shen, JianLei; Gao, JiaCheng Science China Physics, Mechanics & Astronomy, Vol. 64, Issue 1 https://doi.org/10.1007/s11433-020-1597-6	journal	August 2020
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
Linear spin wave theory for single-Q incommensurate magnetic structures Toth, S.; Lake, B. Journal of Physics: Condensed Matter, Vol. 27, Issue 16 https://doi.org/10.1088/0953-8984/27/16/166002	journal	March 2015
Band Theoretical Interpretation of Neutron Diffraction Phenomena in Ferromagnetic Metals Izuyama, Takeo; Kim, Duk-Joo; Kubo, Ryogo Journal of the Physical Society of Japan, Vol. 18, Issue 7 https://doi.org/10.1143/JPSJ.18.1025	journal	July 1963
A practical guide for crystal growth of van der Waals layered materials May, Andrew F.; Yan, Jiaqiang; McGuire, Michael A. Journal of Applied Physics, Vol. 128, Issue 5 https://doi.org/10.1063/5.0015971	journal	August 2020
Calculation of exchange constants of the Heisenberg model in plane-wave-based methods using the Green's function approach Korotin, Dm. M.; Mazurenko, V. V.; Anisimov, V. I. Physical Review B, Vol. 91, Issue 22 https://doi.org/10.1103/PhysRevB.91.224405	journal	June 2015
Lattice symmetries and regular magnetic orders in classical frustrated antiferromagnets Messio, L.; Lhuillier, C.; Misguich, G. Physical Review B, Vol. 83, Issue 18 https://doi.org/10.1103/PhysRevB.83.184401	journal	May 2011

Similar Records

Antiferromagnetic and nematic phase transitions in

BaF e_{2} {(A s_{1 - x} P_{x})}_{2}

studied by ac microcalorimetry and SQUID magnetometry

Journal Article · Mon Mar 23 00:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1820837

Luo, X.; Stanev, V.; Shen, B.; +8 more

First Observation of the Hadronic Transition

Υ (4 S) \to η h_{b} (1 P)

and New Measurement of the

h_{b} (1 P)

and

η_{b} (1 S)

Parameters

Journal Article · Tue Sep 29 00:00:00 EDT 2015 · Physical Review Letters · OSTI ID:1820837

Tamponi, U.; Mussa, R.; Abdesselam, A.; +155 more

Measurements of the masses and widths of the

Σ_{c} (2455)^{0 / + +}

and

Σ_{c} (2520)^{0 / + +}

baryons

Journal Article · Thu May 22 00:00:00 EDT 2014 · Physical Review. D, Particles, Fields, Gravitation and Cosmology · OSTI ID:1820837

Lee, S. -H.; Ko, B. R.; Won, E.; +160 more

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
electronic structure magnetic coupling
Weyl semimetal
density functional theory
inelastic neutron scattering

Title: Unusual Exchange Couplings and Intermediate Temperature Weyl State in Co 3 Sn 2 S 2

Citation Formats

References (41)

Similar Records

Related Subjects

Title: Unusual Exchange Couplings and Intermediate Temperature Weyl State in ${Co}_{3} {Sn}_{2} S_{2}$