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Register a new userSymmetry Analysis of Tensors in the Honeycomb Lattice of Edge-Sharing Octahedra
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We obtain the most general forms of rank-2 and rank-3 tensors allowed by the crystal symmetries of the honeycomb lattice of edge-sharing octahedra for crystals belonging to different crystallographic point groups, including the monoclinic point group $2/m$ and the trigonal (or rhombohedral) point group $bar{3}$. Our results are relevant for two-dimensional materials, such as $alpha$-RuCl$_3$, CrI$_3$, and the honeycomb iridates. We focus on the magnetic-field-dependent thermal conductivity tensor $kappa_{ij}(mathbf{H})$, which describes a systems longitudinal and thermal Hall responses, for the cases when the magnetic field is applied along high-symmetry directions, perpendicular to the plane and in the plane. We highlight some unexpected results, such as the equality of fully-longitudinal components to partially-transverse components in rank-3 tensors for systems with three-fold rotational symmetry, and make testable predictions for the thermal conductivity tensor.
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Magnetoelectric effects in honeycomb antiferromagnet Co4Nb2O9 are investigated on the basis of symmetry analyses of Co ions in trigonal P-3c1 space group. For each Co ion, the possible spin dependence is classified by C3 point-group symmetry. This accounts for the observed main effect that an electric polarization rotates in the opposite direction at the twice speed relative to the rotation of the external magnetic field applied in the ab-plane. Inversion centers and twofold axes in the unit cell restrict the active spin-dependence of the electric polarization, which well explains the observed experimental results. Expected optical properties of quadrupolar excitation and various types of dichroism are also discussed.
We report the crystal structure and magnetic behavior of the $4d^3$ spin-$frac32$ silicophosphate MoP$_3$SiO$_{11}$ studied by high-resolution synchrotron x-ray diffraction, neutron diffraction, thermodynamic measurements, and ab initio band-structure calculations. Our data revise the crystallographic symmetry of this compound and establish its rhombohedral space group ($Rbar 3c$) along with the geometrically perfect honeycomb lattice of the Mo$^{3+}$ ions residing in disconnected MoO$_6$ octahedra. Long-range antiferromagnetic order with the propagation vector $mathbf k=0$ observed below $T_N=6.8$ K is a combined effect of the nearest-neighbor in-plane exchange coupling $Jsimeq 2.6$ K, easy-plane single-ion anisotropy $Dsimeq 2.2 $ K, and a weak interlayer coupling $J_csimeq 0.8$ K. The 12% reduction in the ordered magnetic moment of the Mo$^{3+}$ ions and the magnon gap of $Deltasimeq 7$ K induced by the single-ion anisotropy further illustrate the impact of spin-orbit coupling on the magnetism. Our analysis puts forward single-ion anisotropy as an important ingredient of $4d^3$ honeycomb antiferromagnets despite their nominally quenched orbital moment.
We examine the presence and evolution of magnetic Dirac nodes in the Heisenberg honeycomb lattice. Using linear spin theory, we evaluate the collinear phase diagram as well as the change in the spin dynamics with various exchange interactions. We show that the ferromagnetic structure produces bosonic Dirac and Weyl points due to the competition between superexchange interactions. Furthermore, it is shown that the criteria for magnetic Dirac nodes are coupled to the magnetic structure and not the overall crystal symmetry, where the breaking of inversion symmetry greatly affects the antiferromagnetic configurations. The tunability of the nodal points through variation of the exchange parameters leads to the possibility of controlling Dirac symmetries through an external manipulation of the orbital interactions.
We present calculations for resonant inelastic x-ray scattering (RIXS) in edge-shared copper oxide systems, such as CuGeO$_{3}$ and Li$_{2}$CuO$_{2}$, appropriate for hard x-ray scattering where the photoexcited electron lies above oxygen 2p and copper 3d orbital energies. We perform exact diagonalizations of the multi-band Hubbard and determine the energies, orbital character and resonance profiles of excitations which can be probed via RIXS. We find excellent agreement with recent results on Li$_{2}$CuO$_{2}$ and CuGeO$_{3}$ in the 2-7 eV photon energy loss range.
Single crystal neutron diffraction, inelastic neutron scattering, bulk magnetization measurements, and first-principles calculations are used to investigate the magnetic properties of the honeycomb lattice $rm Tb_2Ir_3Ga_9$. While the $Rln2$ magnetic contribution to the low-temperature entropy indicates a $rm J_{eff}=1/2$ moment for the lowest-energy crystal-field doublet, the Tb$^{3+}$ ions form a canted antiferromagnetic structure below 12.5 K. Due to the Dzyalloshinskii-Moriya interactions, the Tb moments in the $ab$ plane are slightly canted towards $b$ by $6^circ$ with a canted moment of 1.22 $mu_{rm B} $ per formula unit. A minimal $xxz$ spin Hamiltonian is used to simultaneously fit the spin-wave frequencies along the high symmetry directions and the field dependence of the magnetization along the three crystallographic axes. Long-range magnetic interactions for both in-plane and out-of-plane couplings up to the second nearest neighbors are needed to account for the observed static and dynamic properties. The $z$ component of the exchange interactions between Tb moments are larger than the $x$ and $y$ components. This compound also exhibits bond-dependent exchange with negligible nearest exchange coupling between moments parallel and perpendicular to the 4$f$ orbitals. Despite the $J_{{rm eff}}=1/2$ moments, the spin Hamiltonian is denominated by a large in-plane anisotropy $K_z sim -1$ meV. DFT calculations confirm the antiferromagnetic ground state and the substantial inter-plane coupling at larger Tb-Tb distances.
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