Capturing dynamical correlations using implicit neural representations
Abstract:
The observation and description of collective excitations in solids is a fundamental issue when seeking to understand the physics of a many-body system. Analysis of these excitations is usually carried out by measuring the dynamical structure factor, S(Q, $\omega$), with inelastic neutron or x-ray scattering techniques and comparing this against a calculated dynamical model. Here, we develop an artificial intelligence framework which combines a neural network trained to mimic simulated data from a model Hamiltonian with automatic differentiation to recover unknown parameters from experimental data. We benchmark this approach on a Linear Spin Wave Theory (LSWT) simulator and advanced inelastic neutron scattering data from the square-lattice spin-1 antiferromagnet La$_2$NiO$_4$. We find that the model predicts the unknown parameters with excellent agreement relative to analytical fitting. In doing so, we illustrate the ability to build and train a differentiable model only once, which then can be applied in real-time to multi-dimensional scattering data, without the need for human-guided peak finding and fitting algorithms. This prototypical approach promises a new technology for this field to automatically detect and refine more advanced models for ordered quantum systems.Comment: 12 pages, 7 figureHigh-energy spin waves in the spin-1 square-lattice antiferromagnet La2NiO4
Abstract:
Inelastic neutron scattering is used to study the magnetic excitations of the S=1 square-lattice antiferromagnet La2NiO4. We find that the spin waves cannot be described by a simple classical (harmonic) Heisenberg model with only nearest-neighbor interactions. The spin-wave dispersion measured along the antiferromagnetic Brillouin-zone boundary shows a minimum energy at the (1/2,0) position as is observed in some S=1/2 square-lattice antiferromagnets. Thus, our results suggest that the quantum dispersion renormalization effects or longer-range exchange interactions observed in cuprates and other S =1/2 square-lattice antiferromagnets are also present in La2NiO4. We also find that the overall intensity of the spin-wave excitations is suppressed relative to linear spin-wave theory, indicating that covalency is important. Two-magnon scattering is also observed.