Electronic and magnetic excitations in the half-stuffed Cu-O planes of 
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 measured by resonant inelastic x-ray scattering

Fatale, Sara; Fatuzzo, C. G.; Babkevich, P.; Shaik, N. E.; Pelliciari, Jonathan; Lu, Xingye; McNally, Daniel; Schmitt, Thorsten; Kikkawa, Akiko; Taguchi, Y.; Tokura, Y.; Normand, B.; Rønnow, Henrik M.; Grioni, M.

doi:10.1103/physrevb.96.115149

Cited by 8 publications

(11 citation statements)

References 32 publications

(45 reference statements)

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“…Each loss curve is individually area normalized in order to better compare features in the loss profiles across the different incident photon energies. Compared to previous RIXS studies on non-metallic or less itinerant transition metal oxides 3,4,15,22,[93][94][95][96][97][98][99] , the loss peak for BaFe 2 As 2 is not sharp but rather broad in energy. The width in energy of the peak is comparable to the occupied electronic bandwidth, suggesting that the nature of this peak is different from conventional, indirect dd excitations, and more a reflection of the direct band structure contribution.…”

Section: Resonant Inelastic X-ray Scatteringcontrasting

confidence: 80%

Description of resonant inelastic x-ray scattering in correlated metals

Gilmore,

Pelliciari,

Huang

et al. 2020

Preprint

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To fully capitalize on the potential and versatility of resonant inelastic x-ray scattering (RIXS), it is essential to develop the capability to interpret different RIXS contributions through calculations, including the dependence on momentum transfer, from first-principles for correlated materials. Toward that objective, we present new methodology for calculating the full RIXS response of a correlated metal in an unbiased fashion. Through comparison of measurements and calculations that tune the incident photon energy over a wide portion of the Fe L3 absorption resonance of the example material BaFe2As2, we show that the RIXS response in BaFe2As2 is dominated by the direct channel contribution, including the Raman-like response below threshold, which we explain as a consequence of the finite core-hole lifetime broadening. Calculations are initially performed within the first-principles Bethe-Salpeter framework, which we then significantly improve by convolution with an effective spectral function for the intermediate-state excitation. We construct this spectral function, also from first-principles, by employing the cumulant expansion of the Green's function and performing a real-time time dependent density functional theory calculation of the response of the electronic system to the perturbation of the intermediate-state excitation. Importantly, this allows us to evaluate the indirect RIXS response from first-principles, accounting for the full periodicity of the crystal structure and with dependence on the momentum transfer.

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Section: Resonant Inelastic X-ray Scatteringcontrasting

confidence: 80%

Description of resonant inelastic x-ray scattering in correlated metals

Gilmore,

Pelliciari,

Huang

et al. 2020

Preprint

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show abstract

“…Tracking this dispersion in energy transfer shows a maximum of around 250 meV at (0.75, 0.25) and close to 300 meV at (0.5, 0). The statistics of the data are poor above 300 meV and additional measurements using RIXS are in progress to complement this neutron scattering study [40]. A magnetic zone-boundary dispersion of at least 50 meV between (0.5, 0) and (0.75, 0.25) is found from our measurements.…”

Section: B Excitations Of the Strongly-coupled Cua Sublatticementioning

confidence: 70%

Magnetic excitations from the two-dimensional interpenetrating Cu framework in Ba2Cu3O4Cl2

et al. 2017

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We report detailed neutron scattering studies on Ba2Cu3O4Cl2. The compound consists of two interpenetrating sublattices of Cu, labeled as CuA and CuB, each of which forms a square-lattice Heisenberg antiferromagnet. The two sublattices order at different temperatures and effective exchange couplings within the sublattices differ by an order of magnitude. This yields an inelastic neutron spectrum of the CuA sublattice extending up to 300 meV and a much weaker dispersion of CuB going up to around 20 meV. Using a single-band Hubbard model we derive an effective spin Hamiltonian. From this, we find that linear spin-wave theory gives a good description to the magnetic spectrum. In addition, a magnetic field of 10 T is found to produce effects on the CuB dispersion that cannot be explained by conventional spin-wave theory.

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“…When performed at the Cu L 3 -edge (2p 3/2 → 3d transition) it enables momentumdependent studies of low-and medium-energy excitations of superconducting cuprates [5][6][7][9][10][11][12] . RIXS spectra contain a variety of excitations spanning over a wide range of energies, from phonons below 100 meV [13][14][15] , to magnetic excitations up to 500 meV in cuprates 5,6 , to orbital (dd, crystal field) 9,11,[16][17][18][19][20][21][22] and charge transfer [23][24][25][26] excitations in the eV range. Moreover, the elastic and quasi-elastic intensities collected in RIXS spectra carry information on charge density waves or charge orders and associated excitations 10,[27][28][29] .…”

Section: Introductionmentioning

confidence: 99%

Polarization-resolved Cu L3 -edge resonant inelastic x-ray scattering of orbital and spin excitations in NdBa2Cu3O7−<

et al. 2019

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High resolution resonant inelastic x-ray scattering (RIXS) has proven particularly effective in the determination of crystal field and spin excitations in cuprates. Its strength lies in the large Cu L3 resonance and in the fact that the scattering cross section follows quite closely the single-ion model predictions, both in the insulating parent compounds and in the superconducting doped materials. However, the spectra become increasingly broader with (hole) doping, hence resolving and assigning spectral features has proven challenging even with the highest energy resolution experimentally achievable. Here we have overcome this limitation by measuring the complete polarization dependence of the RIXS spectra as function of momentum transfer and doping in thin films of NdBa2Cu3O 7−δ . Besides confirming the previous assignment of dd and spin excitations (magnon, bimagnon) in the antiferromagnetic insulating parent compound, we unequivocally single out the actual spin-flip contribution at all dopings. We also demonstrate that the softening of dd excitations is mainly attributed to the shift of the xy peak to lower energy loss. These results provide a definitive assessment of the RIXS spectra of cuprates and demonstrate that RIXS measurements with full polarization control are practically feasible and highly informative.

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Electronic and magnetic excitations in the half-stuffed Cu-O planes of Ba2Cu3O4Cl2 measured by resonant inelastic x-ray scattering

Cited by 8 publications

References 32 publications

Description of resonant inelastic x-ray scattering in correlated metals

Description of resonant inelastic x-ray scattering in correlated metals

Magnetic excitations from the two-dimensional interpenetrating Cu framework in Ba2Cu3O4Cl2

Polarization-resolved Cu L3 -edge resonant inelastic x-ray scattering of orbital and spin excitations in NdBa2Cu3O7−<

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