Summary
Lattice-Charge Coupling in a Trilayer Nickelate with Intertwined Density Wave Order
Materials
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Methods
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Keywords
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Highlights
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Conclusions
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Main claims
- No phonon softening is observed at the CDW wave vector in trilayer nickelate Pr4Ni3O10, contrasting with cuprates.
- Evidence: Using inelastic x-ray scattering, we mapped the low-energy phonon dispersions in RE4Ni3O10 and found no evidence of softening near the CDW wave vector over a wide temperature range
- The spin degree of freedom, not lattice-charge coupling, is the primary driver of the intertwined density wave order.
- Evidence: Calculations of the electronic susceptibility revealed a peak at the observed SDW ordering vector but not at the CDW wave vector,Our experimental and theoretical findings highlight the crucial role of the spin degree of freedom
Workflow
- crystal growth — High-quality single crystals were synthesized for inelastic x-ray scattering experiments.
- Materials: Pr6O11; NiO
- Methods: high-pressure optical floating zone furnace; two-step growth method
- Observations: single crystals of Pr4Ni3O10 obtained
- X-ray diffraction characterization — Charge density wave order is present with a second-order-like transition.
- Materials: Pr4Ni3O10 single crystals
- Methods: lab-based four-circle x-ray diffractometer; synchrotron XRD at 30 keV
- Observations: CDW onset at T_CDW ≈ 157.5K; correlation length ≈6 nm along c-axis; critical exponent n ≈ 0.46
- inelastic x-ray scattering (IXS) measurement — No Kohn anomaly or phonon softening occurs at the CDW wave vector in Pr4Ni3O10.
- Materials: polished Pr4Ni3O10 crystal (≈150 μm thickness)
- Methods: IXS at beamline 30-ID-C (HERIX); energy resolution 1.36 meV; measurements at constant momentum transfer
- Observations: four phonon branches resolved; no phonon softening at CDW wave vector within resolution; phonon dispersions unchanged across T_CDW
- theoretical calculations (phonon DFT and susceptibility) — Spin degree of freedom drives the intertwined order; CDW is not driven by electronic nesting.
- Materials: computed Pr4Ni3O10 structure
- Methods: phonon density functional theory (phonopy + VASP); susceptibility calculation (WIEN2K, Fourier spline)
- Observations: calculated phonon dispersions agree with experiment; susceptibility shows peak at SDW vector (0.61,0.61,0) but no peak at CDW vector; nesting connects electron and hole pockets at SDW vector