Neutron scattering is used to investigate the single-ion spin and orbital excitations below the Mott-Hubbard gap in CoO. Three excitations are reported at 0.870 $pm$ 0.009 eV, 1.84 $pm$ 0.03, and 2.30 $pm$ 0.15 eV. These were parameterized within a w
eak crystal field scheme with an intra-orbital exchange of $J(dd)$=1.3 $pm$ 0.2 eV and a crystal field splitting 10Dq=0.94 $pm$ 0.10 eV. A reduced spin-orbit coupling of lambda=-0.016 $pm$ 0.003 eV is derived from dilute samples of Mg$_{0.97}$Co$_{0.03}$O, measured to remove complications due to spin exchange and structural distortion parameters which split the cubic phase degeneracy of the orbital excitations complicating the inelastic spectrum. The 1.84 eV, while reported using resonant x-ray and optical techniques, was absent or weak for non resonant x-ray experiments and overlaps with the expected position of a $^{4}A_{2}$ level. This transition is absent in the dipolar approximation but expected to have a finite quadrupolar matrix element that can be observed with neutron scattering techniques at larger momentum transfers. Our results agree with a crystal field analysis (in terms of Racah parameters and Tanabe-Sugano diagrams) and with previous calculations performed using local-density band theory for Mott insulating transition metal oxides. The results also demonstrate the use of neutron scattering for measuring dipole forbidden transitions in transition metal oxide systems.
We have measured the spin fluctuations in the YBa2Cu3O6.5 (YBCO6.5, Tc=59 K) superconductor at high-energy transfers above ~ 100 meV. Within experimental error, the momentum dependence is isotropic at high-energies, similar to that measured in the in
sulator for two dimensional spin waves, and the dispersion extrapolates back to the incommensurate wave vector at the elastic position. This result contrasts with previous expectations based on measurements around 50 meV which were suggestive of a softening of the spin-wave velocity with increased hole doping. Unlike the insulator, we observe a significant reduction in the intensity of the spin excitations for energy transfers above ~ 100 meV similar to that observed above ~ 200 meV in the YBCO6.35 (Tc=18 K) superconductor as the spin waves approach the zone boundary. We attribute this high energy scale with a second gap and find agreement with measurements of the pseudogap in the cuprates associated with electronic anomalies along the antinodal positions. In addition, we observe a sharp peak at around 400 meV whose energy softens with increased hole doping. We discuss possible origins of this excitation including a hydrogen related molecular excitation and a transition of electronic states between d levels.
Deep inelastic neutron scattering experiments using indirect time-of-flight spectrometers have reported a smaller cross section for the hydrogen atom than expected from conventional scattering theory. Typically, at large momentum transfers, a deficit
of 20-40% in the neutron scattering intensity has been measured and several theories have been developed to explain these results. We present a different approach to this problem by investigating the hydrogen cross section in polyethylene using the direct geometry time-of-flight spectrometer MARI with the incident energy fixed at a series of values ranging from Ei=0.5 eV to 100 eV. These measurements span a much broader range in momentum than previous studies and with varying energy resolutions. We observe no momentum dependence to the cross section with an error of 4% and through a comparison with the scattering from metal foil standards measure the absolute bound cross section of the hydrogen atom to be sigma(H)= 80 +/- 4 barns. These results are in agreement with conventional scattering theory but contrast with theories invoking quantum entanglement and neutron experiments supporting them. Our results also illustrate a unique use of direct geometry chopper instruments at high incident energies and demonstrate their capability for conducting high-energy spectroscopy.
We report comprehensive inelastic neutron scattering measurements of the magnetic excitations in the 2D spin-5/2 Heisenberg antiferromagnet Rb2MnF4 as a function of temperature from deep in the Neel ordered phase up to paramagnetic, 0.13 < kBT/4JS <
1.4. Well defined spin-waves are found for wave-vectors larger than the inverse correlation length $eta^{-1}$ for temperatures up to near the Curie-Weiss temperature, $Theta_{CW}$. For wave-vectors smaller than $eta^{-1}$, relaxational dynamics occurs. The observed renormalization of spin-wave energies, and evolution of excitation line-shapes, with increasing temperature are quantitatively compared with finite-temperature spin-wave theory, and computer simulations for classical spins. Random phase approximation calculations provide a good description of the low-temperature renormalisation of spin-waves. In contrast, lifetime broadening calculated using the first Born approximation shows, at best, modest agreement around the zone boundary at low temperatures. Classical dynamics simulations using an appropriate quantum-classical correspondence were found to provide a good description of the intermediate- and high-temperature regimes over all wave-vector and energy scales, and the crossover from quantum to classical dynamics observed around $Theta_{CW}/S$, where the spin S=5/2. A characterisation of the data over the whole wave-vector/energy/temperature parameter space is given. In this, $T^2$ behaviour is found to dominate the wave-vector and temperature dependence of the line widths over a large parameter range, and no evidence of hydrodynamic behaviour or dynamical scaling behaviour found within the accuracy of the data sets.
