No Arabic abstract
We submit that the magnetic space-group Cac (#9.41) is consistent with the established magnetic structure of BaFe2Se3, with magnetic dipole moments in a motif that uses two ladders [Caron J M et al 2011 Phys. Rev. B 84 180409(R)]. The corresponding crystal class m1 allows axial and polar dipoles and forbids bulk ferromagnetism. The compound supports magneto-electric multipoles, including a magnetic charge (monopole) and an anapole (magnetic toroidal dipole) visible in the Bragg diffraction of x-rays and neutrons. Our comprehensive simulation of neutron Bragg diffraction by BaFe2Se3 exploits expressions of a general nature that can be of use with other magnetic materials. Electric toroidal moments are also allowed in BaFe2Se3. A discussion of our findings for resonant x-ray Bragg diffraction illustrates the benefit of a common platform for neutron and x-ray diffraction.
Magneto-electric multipoles, which are odd under both space-inversion $cal I$ and time-reversal $cal T$ symmetries, are fundamental in understanding and characterizing magneto-electric materials. However, the detection of these magneto-electric multipoles is often not straightforward as they remain hidden in conventional experiments in part since many magneto-electrics exhibit combined $cal IT$ symmetry. In the present work, we show that the anti-symmetric Compton profile is a unique signature for all the magneto-electric multipoles, since the asymmetric magnetization density of the magneto-electric multipoles couples to space via spin-orbit coupling, resulting in an anti-symmetric Compton profile. We develop the key physics of the anti-symmetric Compton scattering using symmetry analysis and demonstrate it using explicit first-principles calculations for two well-known representative materials with magneto-electric multipoles, insulating LiNiPO$_4$ and metallic Mn$_2$Au. Our work emphasizes the crucial roles of the orientation of the spin moments, the spin-orbit coupling, and the band structure in generating the anti-symmetric Compton profile in magneto-electric materials.
We study the charge and spin density distributions of excitonic insulator (EI) states in the tight-binding approximation. We first discuss the charge and spin densities of the EI states when the valence and conduction bands are composed of orthogonal orbitals in a single atom. We show that the anisotropic charge or spin density distribution occurs in a unit cell (or atom) and a higher rank electric or magnetic multipole moment becomes finite, indicating that the EI state corresponds to the multipole order. A full description of the multipole moments for the $s$, $p$, and $d$ orbitals is then given in general. We find that, in contrast to the conventional density-wave states, the modulation of the total charge or net magnetization does not appear in this case. However, when the conduction and valence bands include the component of the same orbital, the modulation of the total charge or net magnetization appears, as in the conventional density-wave state. We also discuss the electron density distribution in the EI state when the valence and conduction bands are composed of orbitals located in different atoms. We show that the excitonic ordering in this case corresponds to the bond order formation. Based on the results thus obtained we discuss the EI states of real materials recently reported.
We succeed in deriving an exact expression for the magnetic interaction of neutrons and electrons including magneto-electric operators, allowed in the absence of a centre of inversion symmetry. Central characters are a spin anapole and an orbital (toroidal) analogue, in addition to familiar parity-even operators. A simulation of neutron diffraction by antiferromagnetic copper oxide makes full use of information inferred from a thorough investigation with resonant x-ray Bragg diffraction.
We consider phase separated states in magnetic oxides (MO) thin films. We show that these states have a non-zero electric polarization. Moreover, the polarization is intimately related to a spatial distribution of magnetization in the film. Polarized states with opposite polarization and opposite magnetic configuration are degenerate. An external electric field removes the degeneracy and allows to switch between the two states. So, one can control electric polarization and magnetic configuration of the phase separated MO thin film with the external electric field.
We show that orbital currents in a CuO2 plane, if present, should be described by two independent parity and time-reversal odd order parameters, a toroidal dipole (anapole) and a magnetic quadrupole. Based on this, we derive the resonant X-ray diffraction cross-section for monoclinic CuO at the antiferromagnetic wavevector and show that the two order parameters can be disentangled. From our analysis, we examine a recent claim of detecting anapoles in CuO.