Softening of a flat phonon mode in the kagome ScV6Sn6

Korshunov, A.; Hu, H.; Subires, D.; Jiang, Y.; Călugăru, D.; Feng, X.; Rajapitamahuni, A.; Yi, C.; Roychowdhury, S.; Vergniory, M. G.; Strempfer, J.; Shekhar, C.; Vescovo, E.; Chernyshov, D.; Said, A. H.; Bosak, A.; Felser, C.; Bernevig, B. Andrei; Blanco-Canosa, S.

doi:10.1038/s41467-023-42186-6

Title: Softening of a flat phonon mode in the kagome ScV₆Sn₆

Journal Article · 19 October 2023 · Nature Communications

DOI: https://doi.org/10.1038/s41467-023-42186-6 · OSTI ID:2204335

^[1]; Hu, H. ^[2]; Subires, D. ^[2]; Jiang, Y. ^[3];

^[4]; Feng, X. ^[5]; Rajapitamahuni, A. ^[6]; Yi, C. ^[7];

^[7]; Vergniory, M. G. ^[5];

^[8];

^[7]; Vescovo, E. ^[6];

^[1]; Said, A. H. ^[8]; Bosak, A. ^[1];

^[7];

^[9];

^[10]

European Synchrotron Radiation Facility (ESRF), Grenoble (France)
Donostia International Physics Center (DIPC), San Sebastian (Spain)
Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics; University of Chinese Academy of Sciences, Beijing (China)
Princeton Univ., NJ (United States)
Donostia International Physics Center (DIPC), San Sebastian (Spain); Max Planck Institute for Chemical Physics of Solids, Dresden (Germany)
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Max Planck Institute for Chemical Physics of Solids, Dresden (Germany)
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Donostia International Physics Center (DIPC), San Sebastian (Spain); Princeton Univ., NJ (United States); Basque Foundation for Science, Bilbao (Spain). IKERBASQUE
Donostia International Physics Center (DIPC), San Sebastian (Spain); Basque Foundation for Science, Bilbao (Spain). IKERBASQUE

Geometrically frustrated kagome lattices are raising as novel platforms to engineer correlated topological electron flat bands that are prominent to electronic instabilities. Here, we demonstrate a phonon softening at the k_z = π plane in ScV₆Sn₆. The low energy longitudinal phonon collapses at ~98 K and q = $$\tfrac{1}{3}$$ $$\tfrac{1}{3}$$ $$\tfrac{1}{2}$$ due to the electron-phonon interaction, without the emergence of long-range charge order which sets in at a different propagation vector q_CDW = $$\tfrac{1}{3}$$ $$\tfrac{1}{3}$$ $$\tfrac{1}{3}$$. Theoretical calculations corroborate the experimental finding to indicate that the leading instability is located at $$\tfrac{1}{3}$$ $$\tfrac{1}{3}$$ $$\tfrac{1}{2}$$ of a rather flat mode. We relate the phonon renormalization to the orbital-resolved susceptibility of the trigonal Sn atoms and explain the approximately flat phonon dispersion. Our data report the first example of the collapse of a kagome bosonic mode and promote the 166 compounds of kagomes as primary candidates to explore correlated flat phonon-topological flat electron physics.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357; SC0012704

OSTI ID:: 2204335

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 14; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

References (65)

Intimate link between charge density wave, pseudogap and superconducting energy scales in cuprates Loret, B.; Auvray, N.; Gallais, Y. Nature Physics, Vol. 15, Issue 8 https://doi.org/10.1038/s41567-019-0509-5	journal	April 2019
Theoretical prediction of a strongly correlated Dirac metal Mazin, I. I.; Jeschke, Harald O.; Lechermann, Frank Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5261	journal	July 2014
Three-state nematicity and magneto-optical Kerr effect in the charge density waves in kagome superconductors Xu, Yishuai; Ni, Zhuoliang; Liu, Yizhou Nature Physics https://doi.org/10.1038/s41567-022-01805-7	journal	November 2022
Superconductivity in the Z 2 kagome metal KV 3 Sb 5 Ortiz, Brenden R.; Sarte, Paul M.; Kenney, Eric M. Physical Review Materials, Vol. 5, Issue 3 https://doi.org/10.1103/PhysRevMaterials.5.034801	journal	March 2021
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Nontrivial Quantum Geometry and the Strength of Electron-Phonon Coupling Yu, Jiabin; Ciccarino, Christopher J.; Bianco, Raffaello arXiv https://doi.org/10.48550/arXiv.2305.02340	preprint	January 2023
Theory of the charge density wave in A V 3 Sb 5 kagome metals Christensen, Morten H.; Birol, Turan; Andersen, Brian M. Physical Review B, Vol. 104, Issue 21 https://doi.org/10.1103/PhysRevB.104.214513	journal	December 2021
Electronic Structure and Enhanced Charge-Density Wave Order of Monolayer VSe ₂ Feng, Jiagui; Biswas, Deepnarayan; Rajan, Akhil Nano Letters, Vol. 18, Issue 7 https://doi.org/10.1021/acs.nanolett.8b01649	journal	June 2018
Pseudogap and Charge Density Waves in Two Dimensions Borisenko, S. V.; Kordyuk, A. A.; Yaresko, A. N. Physical Review Letters, Vol. 100, Issue 19 https://doi.org/10.1103/PhysRevLett.100.196402	journal	May 2008
Time-reversal symmetry-breaking charge order in a kagome superconductor Mielke, C.; Das, D.; Yin, J. -X. Nature, Vol. 602, Issue 7896 https://doi.org/10.1038/s41586-021-04327-z	journal	February 2022
Frustrated charge order and cooperative distortions in ScV6Sn6 Pokharel, Ganesh; Ortiz, Brenden R.; Kautzsch, Linus arXiv https://doi.org/10.48550/arXiv.2307.11843	text	January 2023
Tunable topological Dirac surface states and van Hove singularities in kagome metal GdV ₆ Sn ₆ Hu, Yong; Wu, Xianxin; Yang, Yongqi Science Advances, Vol. 8, Issue 38 https://doi.org/10.1126/sciadv.add2024	journal	September 2022
Rotation symmetry breaking in the normal state of a kagome superconductor KV3Sb5 Li, Hong; Zhao, He; Ortiz, Brenden R. Nature Physics https://doi.org/10.1038/s41567-021-01479-7	journal	January 2022
Filling the CoSn host-cell: the HfFe₆Ge₆-type and the related structures Venturini, Gerard Zeitschrift für Kristallographie - Crystalline Materials, Vol. 221, Issue 5-7 https://doi.org/10.1524/zkri.2006.221.5-7.511	journal	May 2006
Electron–phonon coupling reflecting dynamic charge inhomogeneity in copper oxide superconductors Reznik, D.; Pintschovius, L.; Ito, M. Nature, Vol. 440, Issue 7088 https://doi.org/10.1038/nature04704	journal	April 2006
Nanoscale visualization and spectral fingerprints of the charge order in ScV6Sn6 distinct from other kagome metals Cheng, Siyu; Ren, Zheng; Li, Hong arXiv https://doi.org/10.48550/arXiv.2302.12227	preprint	January 2023
Competing electronic orders on kagome lattices at van Hove filling Wang, Wan-Sheng; Li, Zheng-Zhao; Xiang, Yuan-Yuan Physical Review B, Vol. 87, Issue 11 https://doi.org/10.1103/PhysRevB.87.115135	journal	March 2013
Order-disorder charge density wave instability in the kagome metal (Cs,Rb)V3Sb5 Subires, D.; Korshunov, A.; Said, A. H. Nature Communications, Vol. 14, Issue 1 https://doi.org/10.1038/s41467-023-36668-w	journal	February 2023
Maximally localized Wannier functions for entangled energy bands Souza, Ivo; Marzari, Nicola; Vanderbilt, David Physical Review B, Vol. 65, Issue 3 https://doi.org/10.1103/PhysRevB.65.035109	journal	December 2001
K -edge absorption spectra of selected vanadium compounds Wong, J.; Lytle, F. W.; Messmer, R. P. Physical Review B, Vol. 30, Issue 10 https://doi.org/10.1103/PhysRevB.30.5596	journal	November 1984
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
High Resolution Polar Kerr Effect Studies of CsV3Sb5 : Tests for Time-Reversal Symmetry Breaking below the Charge-Order Transition Saykin, David R.; Farhang, Camron; Kountz, Erik D. Physical Review Letters, Vol. 131, Issue 1 https://doi.org/10.1103/PhysRevLett.131.016901	journal	July 2023
Abundant Lattice Instability in Kagome Metal ScV6Sn6 Tan, Hengxin; Yan, Binghai Physical Review Letters, Vol. 130, Issue 26 https://doi.org/10.1103/PhysRevLett.130.266402	journal	June 2023
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
Ab initio molecular dynamics for open-shell transition metals Kresse, G.; Hafner, J. Physical Review B, Vol. 48, Issue 17 https://doi.org/10.1103/PhysRevB.48.13115	journal	November 1993
Unconventional Fermi Surface Instabilities in the Kagome Hubbard Model Kiesel, Maximilian L.; Platt, Christian; Thomale, Ronny Physical Review Letters, Vol. 110, Issue 12 https://doi.org/10.1103/PhysRevLett.110.126405	journal	March 2013
Discovery of charge density wave in a kagome lattice antiferromagnet Teng, Xiaokun; Chen, Lebing; Ye, Feng Nature, Vol. 609, Issue 7927 https://doi.org/10.1038/s41586-022-05034-z	journal	September 2022
From quantum matter to high-temperature superconductivity in copper oxides Keimer, B.; Kivelson, S. A.; Norman, M. R. Nature, Vol. 518, Issue 7538 https://doi.org/10.1038/nature14165	journal	February 2015
Optical spectroscopy and band structure calculations of the structural phase transition in the vanadium-based kagome metal ScV6Sn6 Hu, Tianchen; Pi, Hanqi; Xu, Shuxiang Physical Review B, Vol. 107, Issue 16 https://doi.org/10.1103/PhysRevB.107.165119	journal	April 2023
Cs V 3 Sb 5 : A Z 2 Topological Kagome Metal with a Superconducting Ground State Ortiz, Brenden R.; Teicher, Samuel M. L.; Hu, Yong Physical Review Letters, Vol. 125, Issue 24 https://doi.org/10.1103/PhysRevLett.125.247002	journal	December 2020
Competing charge-density wave instabilities in the kagome metal ScV$_6$Sn$_6$ Cao, Saizheng; Xu, Chenchao; Fukui, Hiroshi arXiv https://doi.org/10.48550/arXiv.2304.08197	preprint	January 2023
van der Waals driven anharmonic melting of the 3D charge density wave in VSe2 Diego, Josu; Said, A. H.; Mahatha, S. K. Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-020-20829-2	journal	January 2021
Iron pnictides and chalcogenides: a new paradigm for superconductivity Fernandes, Rafael M.; Coldea, Amalia I.; Ding, Hong Nature, Vol. 601, Issue 7891 https://doi.org/10.1038/s41586-021-04073-2	journal	January 2022
Kagome Materials I: SG 191, ScV$_6$Sn$_6$. Flat Phonon Soft Modes and Unconventional CDW Formation: Microscopic and Effective Theory Hu, Haoyu; Jiang, Yi; Călugăru, Dumitru arXiv https://doi.org/10.48550/arXiv.2305.15469	preprint	January 2023
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
Charge order from orbital-dependent coupling evidenced by NbSe2 Flicker, Felix; van Wezel, Jasper Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8034	journal	May 2015
Coherent phonon spectroscopy and interlayer modulation of charge density wave order in the kagome metal CsV 3 Sb 5 Ratcliff, Noah; Hallett, Lily; Ortiz, Brenden R. Physical Review Materials, Vol. 5, Issue 11 https://doi.org/10.1103/PhysRevMaterials.5.L111801	journal	November 2021
Order-disorder type of Peierls instability in BaVS3 Ilakovac, Vita; Girard, Adrien; Balédent, Victor Physical Review B, Vol. 103, Issue 1 https://doi.org/10.1103/PhysRevB.103.014306	journal	January 2021
Cascade of correlated electron states in the kagome superconductor CsV3Sb5 Zhao, He; Li, Hong; Ortiz, Brenden R. Nature, Vol. 599, Issue 7884 https://doi.org/10.1038/s41586-021-03946-w	journal	September 2021
Extended Phonon Collapse and the Origin of the Charge-Density Wave in 2 H − NbSe 2 Weber, F.; Rosenkranz, S.; Castellan, J. -P. Physical Review Letters, Vol. 107, Issue 10 https://doi.org/10.1103/PhysRevLett.107.107403	journal	September 2011
Giant Kohn Anomaly and the Phase Transition in Charge Density Wave ZrTe 3 Hoesch, Moritz; Bosak, Alexey; Chernyshov, Dmitry Physical Review Letters, Vol. 102, Issue 8 https://doi.org/10.1103/PhysRevLett.102.086402	journal	February 2009
Fermi surface nesting and the origin of charge density waves in metals Johannes, M. D.; Mazin, I. I. Physical Review B, Vol. 77, Issue 16 https://doi.org/10.1103/PhysRevB.77.165135	journal	April 2008
Charge Density Wave in Kagome Lattice Intermetallic ScV6Sn6 Arachchige, Hasitha W. Suriya; Meier, William R.; Marshall, Madalynn Physical Review Letters, Vol. 129, Issue 21 https://doi.org/10.1103/PhysRevLett.129.216402	journal	November 2022
IFermi: A python library for Fermi surface generation and analysis Ganose, Alex; Searle, Amy; Jain, Anubhav Journal of Open Source Software, Vol. 6, Issue 59 https://doi.org/10.21105/joss.03089	journal	March 2021
Emergence of a new band and the Lifshitz transition in kagome metal ScV$_6$Sn$_6$ with charge density wave Kang, Seoung-Hun; Li, Haoxiang; Meier, William R. arXiv https://doi.org/10.48550/arXiv.2302.14041	preprint	January 2023
Origins of Superstructure Ordering and Incommensurability in Stuffed CoSn-Type Phases Fredrickson, Daniel C.; Lidin, Sven; Venturini, Gerard Journal of the American Chemical Society, Vol. 130, Issue 26 https://doi.org/10.1021/ja077380+	journal	June 2008
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
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
Ferromagnetism in the Hubbard model on line graphs and further considerations Mielke, A. Journal of Physics A: Mathematical and General, Vol. 24, Issue 14 https://doi.org/10.1088/0305-4470/24/14/018	journal	July 1991
Electron-Phonon Coupling and the Soft Phonon Mode in TiSe 2 Weber, F.; Rosenkranz, S.; Castellan, J. -P. Physical Review Letters, Vol. 107, Issue 26 https://doi.org/10.1103/PhysRevLett.107.266401	journal	December 2011
Hexagonal-to-base-centered-orthorhombic 4 Q charge density wave order in kagome metals KV 3 Sb 5 , RbV 3 Sb 5 , and CsV 3 Sb 5 Subedi, Alaska Physical Review Materials, Vol. 6, Issue 1 https://doi.org/10.1103/PhysRevMaterials.6.015001	journal	January 2022
Optical spectroscopy and band structure calculations of structural phase transition in the Vanadium-based kagome metal ScV$_6$Sn$_6$ Hu, Tianchen; Pi, Hanqi; Xu, Shuxiang arXiv https://doi.org/10.48550/arXiv.2211.03412	text	January 2022
Maximally localized generalized Wannier functions for composite energy bands Marzari, Nicola; Vanderbilt, David Physical Review B, Vol. 56, Issue 20 https://doi.org/10.1103/PhysRevB.56.12847	journal	November 1997
Magnetism and charge density wave order in kagome FeGe Teng, Xiaokun; Oh, Ji Seop; Tan, Hengxin Nature Physics https://doi.org/10.1038/s41567-023-01985-w	journal	March 2023
Quantum-limit Chern topological magnetism in TbMn6Sn6 Yin, Jia-Xin; Ma, Wenlong; Cochran, Tyler A. Nature, Vol. 583, Issue 7817 https://doi.org/10.1038/s41586-020-2482-7	journal	July 2020
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
Maximally localized Wannier functions: Theory and applications Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R. Reviews of Modern Physics, Vol. 84, Issue 4 https://doi.org/10.1103/RevModPhys.84.1419	journal	October 2012
Charge Density Waves and Electronic Properties of Superconducting Kagome Metals Tan, Hengxin; Liu, Yizhou; Wang, Ziqiang Physical Review Letters, Vol. 127, Issue 4 https://doi.org/10.1103/PhysRevLett.127.046401	journal	July 2021
Unconventional chiral charge order in kagome superconductor KV3Sb5 Jiang, Yu-Xiao; Yin, Jia-Xin; Denner, M. Michael Nature Materials https://doi.org/10.1038/s41563-021-01034-y	journal	June 2021
Twofold van Hove singularity and origin of charge order in topological kagome superconductor CsV3Sb5 Kang, Mingu; Fang, Shiang; Kim, Jeong-Kyu Nature Physics https://doi.org/10.1038/s41567-021-01451-5	journal	January 2022
Frustrated charge order and cooperative distortions in ScV6Sn6 Pokharel, Ganesh; Ortiz, Brenden R.; Kautzsch, Linus Physical Review Materials, Vol. 7, Issue 10 https://doi.org/10.1103/PhysRevMaterials.7.104201	journal	October 2023
Signature of spin-phonon coupling driven charge density wave in a kagome magnet Miao, H.; Zhang, T. T.; Li, H. X. Nature Communications, Vol. 14, Issue 1 https://doi.org/10.1038/s41467-023-41957-5	journal	October 2023
Source data for ScV6Sn6 Blanco Canosa, Santi figshare https://doi.org/10.6084/m9.figshare.24155937.v2	dataset	January 2023
New kagome prototype materials: discovery of KV 3 Sb 5 , RbV 3 Sb 5 , and CsV 3 Sb 5 Ortiz, Brenden R.; Gomes, Lídia C.; Morey, Jennifer R. Physical Review Materials, Vol. 3, Issue 9 https://doi.org/10.1103/PhysRevMaterials.3.094407	journal	September 2019
Switchable chiral transport in charge-ordered kagome metal CsV3Sb5 Guo, Chunyu; Putzke, Carsten; Konyzheva, Sofia Nature, Vol. 611, Issue 7936 https://doi.org/10.1038/s41586-022-05127-9	journal	October 2022

Similar Records

Charge Density Wave in Kagome Lattice Intermetallic ScV₆Sn₆

Journal Article · 2022 · Physical Review Letters · OSTI ID:1965245

Suriya Arachchige, Hasitha W.; Meier, William R.; Marshall, Madalynn; +6 more

Electron-phonon coupling in the charge density wave state of CsV₃Sb₅

Journal Article · 2022 · Physical Review. B · OSTI ID:1883341

Xie, Yaofeng; Li, Yongkai; Bourges, Philippe; +9 more

Charge Density Waves and Electronic Properties of Superconducting Kagome Metals

Journal Article · 2021 · Physical Review Letters · OSTI ID:1850209

Tan, Hengxin; Liu, Yizhou; Wang, Ziqiang; +1 more

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Title: Softening of a flat phonon mode in the kagome ScV6Sn6

Citation Formats

References (65)

Similar Records

Related Subjects

Title: Softening of a flat phonon mode in the kagome ScV₆Sn₆