Phonon mixing in the charge density wave state of ScV6Sn6

Gu, Yanhong; Ritz, Ethan T.; Meier, William R.; Blockmon, Avery; Smith, Kevin; Madhogaria, Richa Pokharel; Mozaffari, Shirin; Mandrus, David; Birol, Turan; Musfeldt, Janice L.

doi:10.1038/s41535-023-00590-7

Title: Phonon mixing in the charge density wave state of ScV6Sn6

Abstract

Abstract Kagomé metals are widely recognized, versatile platforms for exploring topological properties, unconventional electronic correlations, magnetic frustration, and superconductivity. In the R V ₆ Sn ₆ family of materials ( R = Sc, Y, Lu), ScV ₆ Sn ₆ hosts an unusual charge density wave ground state as well as structural similarities with the A V ₃ Sb ₅ system ( A = K, Cs, Rb). In this work, we combine Raman scattering spectroscopy with first-principles lattice dynamics calculations to reveal phonon mixing processes in the charge density wave state of ScV ₆ Sn ₆ . In the low temperature phase, we find at least four new peaks in the vicinity of the V-containing totally symmetric mode near 240 cm ⁻¹ suggesting that the density wave acts to mix modes of P 6/ m m m and $$$$R\bar{3}m$$$$ $R \bar{3} m$ symmetry - a result that we quantify by projecting phonons of the high symmetry state onto those of the lower symmetry structure. We also test the stability of the short-range ordered density wave state under compression and propose that both physical and chemical pressure quench the effect. We discuss these findings in terms of symmetry and the structure-property trends that can be unraveled in this system.

Authors:

Gu, Yanhong; Ritz, Ethan T.;

;

; Madhogaria, Richa Pokharel;

;

Publication Date:: Fri Oct 13 00:00:00 EDT 2023

Research Org.:: Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); AFOSR MURI (Novel Light-Matter Interactions in Topologically Non-Trivial Weyl Semimetal Structures and Systems); NSF CAREER

OSTI Identifier:: 2202312

Alternate Identifier(s):: OSTI ID: 2338180

Grant/Contract Number:: SC0023144; FA9550-20-1-0322; DMR-2046020

Resource Type:: Published Article

Journal Name:: npj Quantum Materials

Additional Journal Information:: Journal Name: npj Quantum Materials Journal Volume: 8 Journal Issue: 1; Journal ID: ISSN 2397-4648

Publisher:: Nature Publishing Group

Country of Publication:: United Kingdom

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Kagome metals; charge density waves; phonon mixing; phase transitions and critical phenomena; physics

Citation Formats


                    Gu, Yanhong, Ritz, Ethan T., Meier, William R., Blockmon, Avery, Smith, Kevin, Madhogaria, Richa Pokharel, Mozaffari, Shirin, Mandrus, David, Birol, Turan, and Musfeldt, Janice L. Phonon mixing in the charge density wave state of ScV6Sn6.  United Kingdom: N. p., 2023. 
Web.  doi:10.1038/s41535-023-00590-7.

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                    Gu, Yanhong, Ritz, Ethan T., Meier, William R., Blockmon, Avery, Smith, Kevin, Madhogaria, Richa Pokharel, Mozaffari, Shirin, Mandrus, David, Birol, Turan, & Musfeldt, Janice L. Phonon mixing in the charge density wave state of ScV6Sn6.  United Kingdom.  https://doi.org/10.1038/s41535-023-00590-7

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                    Gu, Yanhong, Ritz, Ethan T., Meier, William R., Blockmon, Avery, Smith, Kevin, Madhogaria, Richa Pokharel, Mozaffari, Shirin, Mandrus, David, Birol, Turan, and Musfeldt, Janice L. Fri .  
"Phonon mixing in the charge density wave state of ScV6Sn6".  United Kingdom.  https://doi.org/10.1038/s41535-023-00590-7.

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@article{osti_2202312,

  title        = {Phonon mixing in the charge density wave state of ScV6Sn6},

  author       = {Gu, Yanhong and Ritz, Ethan T. and Meier, William R. and Blockmon, Avery and Smith, Kevin and Madhogaria, Richa Pokharel and Mozaffari, Shirin and Mandrus, David and Birol, Turan and Musfeldt, Janice L.},

  abstractNote = {Abstract Kagomé metals are widely recognized, versatile platforms for exploring topological properties, unconventional electronic correlations, magnetic frustration, and superconductivity. In the R V 6 Sn 6 family of materials ( R = Sc, Y, Lu), ScV 6 Sn 6 hosts an unusual charge density wave ground state as well as structural similarities with the A V 3 Sb 5 system ( A = K, Cs, Rb). In this work, we combine Raman scattering spectroscopy with first-principles lattice dynamics calculations to reveal phonon mixing processes in the charge density wave state of ScV 6 Sn 6 . In the low temperature phase, we find at least four new peaks in the vicinity of the V-containing totally symmetric mode near 240 cm −1 suggesting that the density wave acts to mix modes of P 6/ m m m and $$R\bar{3}m$$ R 3 ¯ m symmetry - a result that we quantify by projecting phonons of the high symmetry state onto those of the lower symmetry structure. We also test the stability of the short-range ordered density wave state under compression and propose that both physical and chemical pressure quench the effect. We discuss these findings in terms of symmetry and the structure-property trends that can be unraveled in this system.},

  doi          = {10.1038/s41535-023-00590-7},

  journal      = {npj Quantum Materials},

  number       = 1,

  volume       = 8,

  place        = {United Kingdom},

  year         = {Fri Oct 13 00:00:00 EDT 2023},

  month        = {Fri Oct 13 00:00:00 EDT 2023}

}

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Title: Phonon mixing in the charge density wave state of ScV6Sn6

Abstract

Citation Formats

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Electronic properties of the topological kagome metals YV6Sn6 and GdV6Sn6 journal, December 2021

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Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R 1 fluorescence pressure gauge from 0.06 to 1 Mbar journal, June 1978

Exchange biased anomalous Hall effect driven by frustration in a magnetic kagome lattice journal, January 2020

Competing magnetic phases and fluctuation-driven scalar spin chirality in the kagome metal YMn 6 Sn 6 journal, December 2020

Phonon promoted charge density wave in topological kagome metal ScV$_{6}$Sn$_{6}$ preprint, January 2023

Two types of charge order with distinct interplay with superconductivity in the kagome material CsV3Sb5 journal, September 2022

Making and Breaking Bonds in the Solid State: The ThCr 2 Si 2 Structure journal, September 1985

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Negative flat band magnetism in a spin–orbit-coupled correlated kagome magnet journal, February 2019

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

Far-infrared vibrational properties of high-pressure high-temperatureC60polymers and theC60dimer journal, May 2000

Emergence of a new band and the Lifshitz transition in kagome metal ScV$_6$Sn$_6$ with charge density wave preprint, January 2023

Nature of charge density wave in kagome metal ScV6Sn6 preprint, January 2023

Anharmonic effects in light scattering due to optical phonons in silicon journal, August 1983

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

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Gapped Spin-1/2 Spinon Excitations in a New Kagome Quantum Spin Liquid Compound Cu 3 Zn(OH) 6 FBr journal, June 2017

Tunable topological Dirac surface states and van Hove singularities in kagome metal GdV 6 Sn 6 journal, September 2022

Electronic and magnetic properties of intermetallic kagome magnets RV6Sn6(R=Tb−Tm) journal, October 2022

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Charge Density Wave in Kagome Lattice Intermetallic ScV6Sn6 journal, November 2022

Superconductivity from orbital-selective electron-phonon coupling in AV3Sb5 journal, September 2023

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Pressure-induced volume-collapsed tetragonal phase of CaFe 2 As 2 as seen via neutron scattering journal, November 2008

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

Abundant Lattice Instability in Kagome Metal ScV6Sn6 journal, June 2023

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Intrinsic Quantum Anomalous Hall Effect in the Kagome Lattice Cs 2 LiMn 3 F 12 journal, October 2015

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

Field-induced topological Hall effect and double-fan spin structure with a c -axis component in the metallic kagome antiferromagnetic compound Y Mn 6 Sn 6 journal, January 2021

Discovery of charge density wave in a kagome lattice antiferromagnet journal, September 2022

Dynamics and Resilience of the Charge Density Wave in a bilayer kagome metal preprint, January 2023

Impact of Sb degrees of freedom on the charge density wave phase diagram of the kagome metal CsV3Sb5 journal, May 2023

Insulator–metal transition in CrSiTe3 triggered by structural distortion under pressure journal, April 2023

Pressure-induced double superconducting domes and charge instability in the kagome metal KV 3 Sb 5 journal, June 2021

Destabilization of the Charge Density Wave and the Absence of Superconductivity in ScV6Sn6 under High Pressures up to 11 GPa journal, October 2022

Pure rotational Raman spectroscopy applied to N2/O2 analysis of air bubbles in polar firn journal, April 2021

Pressure-induced reemergence of superconductivity in the topological kagome metal Cs V 3 Sb 5 journal, June 2021

Spectroscopic Determination of Phonon Lifetimes in Rhenium-Doped MoS ₂ Nanoparticles
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Short-range charge density wave order in $2 H − T a S_{2}$
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Structural collapse and superconductivity in rare-earth-doped CaFe $_{2}$ As $_{2}$
journal, January 2012

Spin-lattice Coupling and the Emergence of the Trimerized Phase in the $S = 1$ Kagome Antiferromagnet ${Na}_{2} {Ti}_{3} {Cl}_{8}$
journal, April 2020

Optical spectroscopy and band structure calculations of the structural phase transition in the vanadium-based kagome metal ScV6Sn6
journal, April 2023

Electronic chirality in the metallic ferromagnet ${Fe}_{1 / 3} {TaS}_{2}$
journal, November 2017

Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R ₁ fluorescence pressure gauge from 0.06 to 1 Mbar
journal, June 1978

Exchange biased anomalous Hall effect driven by frustration in a magnetic kagome lattice
journal, January 2020

Competing magnetic phases and fluctuation-driven scalar spin chirality in the kagome metal YMn ₆ Sn ₆
journal, December 2020

Phonon promoted charge density wave in topological kagome metal ScV$_{6}$Sn$_{6}$
preprint, January 2023

Two types of charge order with distinct interplay with superconductivity in the kagome material CsV3Sb5
journal, September 2022

Making and Breaking Bonds in the Solid State: The ThCr ₂ Si ₂ Structure
journal, September 1985

Ab initiomolecular dynamics for liquid metals
journal, January 1993

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

Negative flat band magnetism in a spin–orbit-coupled correlated kagome magnet
journal, February 2019

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

Far-infrared vibrational properties of high-pressure high-temperatureC60polymers and theC60dimer
journal, May 2000

Emergence of a new band and the Lifshitz transition in kagome metal ScV$_6$Sn$_6$ with charge density wave
preprint, January 2023

Nature of charge density wave in kagome metal ScV6Sn6
preprint, January 2023

Anharmonic effects in light scattering due to optical phonons in silicon
journal, August 1983

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

Spin liquids in frustrated magnets
journal, March 2010

Anisotropic magnetic property of single crystals RV6Sn6 (R=Y, Gd−Tm, Lu)
journal, August 2022

Gapped Spin-1/2 Spinon Excitations in a New Kagome Quantum Spin Liquid Compound Cu ₃ Zn(OH) ₆ FBr
journal, June 2017

Tunable topological Dirac surface states and van Hove singularities in kagome metal GdV ₆ Sn ₆
journal, September 2022

Electronic and magnetic properties of intermetallic kagome magnets RV6Sn6(R=Tb−Tm)
journal, October 2022

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Charge Density Wave in Kagome Lattice Intermetallic ScV6Sn6
journal, November 2022

Superconductivity from orbital-selective electron-phonon coupling in AV3Sb5
journal, September 2023

Cascade of correlated electron states in the kagome superconductor CsV3Sb5
journal, September 2021

Phonon origin and lattice evolution in charge density wave states
journal, May 2019

Far-infrared vibrational properties of tetragonalC60polymer
journal, February 2002

Pressure-induced volume-collapsed tetragonal phase of ${CaFe}_{2} {As}_{2}$ as seen via neutron scattering
journal, November 2008

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

Abundant Lattice Instability in Kagome Metal ScV6Sn6
journal, June 2023

Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups
journal, March 2006

Intrinsic Quantum Anomalous Hall Effect in the Kagome Lattice ${Cs}_{2} {LiMn}_{3} F_{12}$
journal, October 2015

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

Field-induced topological Hall effect and double-fan spin structure with a $c$ -axis component in the metallic kagome antiferromagnetic compound $Y {Mn}_{6} {Sn}_{6}$
journal, January 2021

Discovery of charge density wave in a kagome lattice antiferromagnet
journal, September 2022

Dynamics and Resilience of the Charge Density Wave in a bilayer kagome metal
preprint, January 2023

Impact of Sb degrees of freedom on the charge density wave phase diagram of the kagome metal CsV3Sb5
journal, May 2023

Insulator–metal transition in CrSiTe3 triggered by structural distortion under pressure
journal, April 2023

Pressure-induced double superconducting domes and charge instability in the kagome metal ${KV}_{3} {Sb}_{5}$
journal, June 2021

Destabilization of the Charge Density Wave and the Absence of Superconductivity in ScV6Sn6 under High Pressures up to 11 GPa
journal, October 2022

Pure rotational Raman spectroscopy applied to N₂/O₂ analysis of air bubbles in polar firn
journal, April 2021

Pressure-induced reemergence of superconductivity in the topological kagome metal $Cs V_{3} {Sb}_{5}$
journal, June 2021