Neutron scattering from local magnetoelectric multipoles: a combined theoretical, computational, and experimental perspective

Abstract

We address magnetic neutron scattering in the presence of local non-centrosymmetric asymmetries of the magnetization density. Such inversion-symmetry breaking, combined with the absence of time-reversal symmetry, can be described in terms of magnetoelectric multipoles which form the second term after the magnetic dipole in the multipole expansion of the magnetization density. We provide a pedagogical review of the theoretical formalism of magnetic neutron diffraction in terms of the multipole expansion of the scattering cross-section. In particular, we show how to compute the contribution of magnetoelectric multipoles to the scattering amplitude starting from ab initio calculations. We also provide general guidelines on how to experimentally detect long-ranged order of magnetoelectric multipoles using either unpolarized or polarized neutron scattering. As a case study, we search for the presence of magnetoelectric multipoles in CuO by comparing theoretical first-principle predictions with experimental spherical neutron polarimetry measurements.

arXiv comment17 pages, 8 figures

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• Hidden orders in spin-orbit entangled correlated insulators
• Kramers' degenerate magnetism and superconductivity
• Exploring energy landscapes of charge multipoles using constrained density functional theory
• Designing Non-Relativistic Spin Splitting in Oxide Perovskites
• Thermodynamic formulation of the spin magnetic octupole moment in bulk crystals
• Circular dichroism in resonant inelastic x-ray scattering from birefringence in CuO
• Anomalous phonon magnetic moments
• Lattice excitations with finite polarization and magnetization