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Register a new userStrange magnetic multipoles and neutron diffraction by an iridate perovskite (Sr2IrO4)
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A theoretical investigation of a plausible construct for electronic structure in iridate perovskites demonstrates the existence of magnetic multipoles hitherto not identified. The strange multipoles, which are parity-even, time-odd and even rank tensors, are absent from the so-called jeff = 1/2 model. We prove that the strange multipoles contribute to magnetic neutron diffraction, and we estimate their contribution to intensities of Bragg spots for Sr2IrO4. The construct encompasses the jeff = 1/2 model, and it is consistent with the known magnetic structure, ordered magnetic moment, and published resonant x-ray Bragg diffraction data. Over and above time-odd quadrupoles and hexadecapoles, whose contribution changes neutron Bragg intensities by an order of magnitude, according to our estimates, are relatively small triakontadipoles recently proposed as the primary magnetic order-parameter of Sr2IrO4.
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A recent polarized neutron diffraction experiment on the 5d2 rhenium double perovskite Ba2YReO6 held at a low temperature uncovered weak magnetic diffraction peaks. Data analysis inferred a significantly reduced Re dipole moment, and long-range order compatible with an antiferromagnet, non-collinear motif. To interpret the experimental findings, we present a model wavefunction for Re ions derived from the crystal field potential, Coulomb interaction, and spin-orbit coupling that fully respects the symmetry of the low-temperature ordered state. It is used to calculate in analytic form all multipole moments visible in neutron and resonance enhanced x-ray diffraction. A minimal model consistent with available neutron diffraction data predicts significant multipolar moments up to the hexadecapole, and, in particular, a dominant charge-like quadrupole moment. Calculated diffraction patterns embrace single crystal x-ray diffraction at the Re L-edge, and renewed neutron diffraction, to probe the presumed underlying multipolar order.
Structural and magnetic transitions in a double perovskite hosting 5d1 Re ions are discussed on the basis of recently published high-resolution x-ray diffraction patterns [D. Hirai, et al., Phys. Rev. Res. 2, 022063(R) (2020)]. A reported structural transition below room temperature, from cubic to tetragonal symmetry, appears not to be driven by T2g-type quadrupoles, as suggested. A magnetic motif at lower temperature is shown to be composed of two order parameters, associated with propagation vectors k = (0, 0, 1) and k = (0, 0, 0). Findings from our studies, for structural and magnetic properties of Ba2MgReO6, surface in predicted amplitudes for x-ray diffraction at rhenium L2 and L3 absorption edges, and magnetic neutron Bragg diffraction. Specifically, entanglement of anapole and spatial degrees of freedom creates a quadrupole in the neutron scattering amplitude. It would be excluded in an unexpected scenario whereby the rhenium atomic state is a manifold. Also, a chiral signature visible in resonant x-ray diffraction will be one consequence of predicted electronic quadrupole and magnetic dipole orders. A model Re wave function consistent with all current knowledge is a guide to electronic and magnetic multipoles engaged in x-ray and neutron diffraction investigations.
Neutron diffraction measurements on a single crystal of CeGe1.76 reveal a complex series of magnetic transitions at low temperature. At T_N = 7 K, there is a transition from a paramagnetic state at higher temperature to an incommensurate magnetic structure characterized by a magnetic propagation vector (0 0 tau) with tau approx. 1/4 and the magnetic moment along the a axis of the orthorhombic unit cell. Below T_LI = 5 K, the magnetic structure locks in to a commensurate structure with tau = 1/4 and the magnetic moment remains along the a axis. Below T* = 4 K, we find additional half-integer and integer indexed magnetic Bragg peaks consistent with a second commensurately ordered antiferromagnetic state.
The magnetic ordering of the hexagonal multiferroic compound YbMnO$_3$ has been studied between 100 K and 1.5 K by combining neutron powder diffraction, $^{170}$Yb Mossbauer spectroscopy and magnetization measurements. The Yb moments of the two crystallographic sites order at two different temperatures, the $4b$ site together with the Mn moments (at $T_N simeq$85 K) and the $2a$ site well below (at 3.5 K). The temperature dependences of the Mn and Yb moments are explained within a molecular field model, showing that the $4b$ and $2a$ sites order via Yb-Mn and Yb-Yb interactions respectively. A simple picture taking into account the local Mn environment of the Rare earth R ($4b$) ion is proposed to couple R and Mn orders in hexagonal RMnO$_3$ manganites. The nature and symmetry of the R-Mn interactions yielding the R order are discussed.
$rm Sr_2IrO_4$ is an archetypal spin-orbit-coupled Mott insulator and has been extensively studied in part because of a wide range of predicted novel states. Limited experimental characterization of these states thus far brings to light the extraordinary susceptibility of the physical properties to the lattice, particularly, the Ir-O-Ir bond angle. Here, we report a newly observed microscopic rotation of the IrO$_6$ octahedra below 50~K measured by single crystal neutron diffraction. This sharp lattice anomaly provides keys to understanding the anomalous low-temperature physics and a direct confirmation of a crucial role that the Ir-O-Ir bond angle plays in determining the ground state. Indeed, as also demonstrated in this study, applied electric current readily weakens the antiferromagnetic order via the straightening of the Ir-O-Ir bond angle, highlighting that even slight change in the local structure can disproportionately affect the physical properties in the spin-orbit-coupled system.
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