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Register a new userMagnetic order and anisotropic interactions induced by mixing between the $J=1/2$ and $3/2$ sectors in spin-orbit coupled honeycomb-lattice compounds
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Novel magnetic ordering on the honeycomb lattice due to emergent weak anisotropic interactions generated by the mixing between the $J=1/2$ sector and the magnetically inactive 3/2 sector is investigated in a three-orbital interacting electron model in the absence of Hunds coupling. Self-consistent determination of magnetic order yields anisotropic N{e}el and zigzag orders for different parameter regimes, highlighting the effect of the emergent single-ion anisotropy. Study of magnon excitations shows extremely small magnon energy scale compared to the hopping energy scale, and enhancement of anisotropy effects for smaller spin-orbit coupling. These results account for several features of the honeycomb lattice compounds such as $rm Na_2 Ir O_3$ and $rm Ru Cl_3$, where the leading order anisotropic interactions within the magnetically active $J=1/2$ sector are completely quenched due to the edge-sharing octahedra.
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High field electron spin resonance, nuclear magnetic resonance and magnetization studies addressing the ground state of the quasi two-dimensional spin-1/2 honeycomb lattice compound InCu{2/3}V{1/3}O{3} are reported. Uncorrelated finite size structural domains occurring in the honeycomb planes are expected to inhibit long range magnetic order. Surprisingly, ESR data reveal the development of two collinear antiferromagnetic (AFM) sublattices below ~ 20 K whereas NMR results show the presence of the staggered internal field. Magnetization data evidence a spin reorientation transition at ~ 5.7 T. Quantum Monte-Carlo calculations show that switching on the coupling between the honeycomb spin planes in a finite size cluster yields a Neel-like AFM spin structure with a substantial staggered magnetization at finite temperatures. This may explain the occurrence of a robust AFM state in InCu{2/3}V{1/3}O{3} despite an unfavorable effect of structural disorder.
Using variational wave functions and Monte Carlo techniques, we study the antiferromagnetic Heisenberg model with first-neighbor $J_1$ and second-neighbor $J_2$ antiferromagnetic couplings on the honeycomb lattice. We perform a systematic comparison of magnetically ordered and nonmagnetic states (spin liquids and valence-bond solids) to obtain the ground-state phase diagram. Neel order is stabilized for small values of the frustrating second-neighbor coupling. Increasing the ratio $J_2/J_1$, we find strong evidence for a continuous transition to a nonmagnetic phase at $J_2/J_1 approx 0.23$. Close to the transition point, the Gutzwiller-projected uniform resonating valence bond state gives an excellent approximation to the exact ground-state energy. For $0.23 lesssim J_2/J_1 lesssim 0.4$, a gapless $Z_2$ spin liquid with Dirac nodes competes with a plaquette valence-bond solid. In contrast, the gapped spin liquid considered in previous works has significantly higher variational energy. Although the plaquette valence-bond order is expected to be present as soon as the Neel order melts, this ordered state becomes clearly favored only for $J_2/J_1 gtrsim 0.3$. Finally, for $0.36 lesssim J_2/J_1 le 0.5$, a valence-bond solid with columnar order takes over as the ground state, being also lower in energy than the magnetic state with collinear order. We perform a detailed finite-size scaling and standard data collapse analysis, and we discuss the possibility of a deconfined quantum critical point separating the Neel antiferromagnet from the plaquette valence-bond solid.
We used single-crystal x-ray and neutron diffraction to investigate the crystal and magnetic structures of trigonal lattice iridate Ca2Sr2IrO6. The crystal structure is determined to be $Rbar3$ with two distinct Ir sites. The system exhibits long-range antiferromagnetic order below $T_N = 13.1$ K. The magnetic wave vector is identified as $(0,0.5,1)$ with ferromagnetic coupling along the $a$ axis and antiferromagnetic correlation along the $b$ axis. Spins align dominantly within the basal plane along the [1,2,0] direction and tilt 34$^circ$ towards the $c$ axis. The ordered moment is 0.66(3) $mu_B$/Ir, larger than other iridates where iridium ions form corner- or edge-sharing $rm IrO_6$ octahedral networks. The tilting angle is reduced to $approx19^circ$ when a magnetic field of 4.9 Tesla is applied along the $c$ axis. Density functional theory calculations confirm that the experimentally determined magnetic configuration is the most probable ground state with an insulating gap $sim0.5$~eV.
Motivated by the recently synthesized insulating nickelate Ni$_2$Mo$_3$O$_8$, which has been reported to have an unusual non-collinear magnetic order of Ni$^{2+}$ $S=1$ moments with a nontrivial angle between adjacent spins, we construct an effective spin-1 model on the honeycomb lattice, with the exchange parameters determined with the help of first principles electronic structure calculations. The resulting bilinear-biquadratic model, supplemented with the realistic crystal-field induced anisotropy, favors the collinear Neel state. We find that the crucial key to explaining the observed noncollinear spin structure is the inclusion of the Dzyaloshinskii--Moriya (DM) interaction between the neighboring spins. By performing the variational mean-field and linear spin-wave theory (LSWT) calculations, we determine that a realistic value of the DM interaction $Dapprox 2.78$ meV is sufficient to quantitatively explain the observed angle between the neighboring spins. We furthermore compute the spectrum of magnetic excitations within the LSWT and random-phase approximation (RPA) which should be compared to future inelastic neutron measurements.
Inelastic neutron scattering study has been performed in an S=3/2 bilayer honeycomb lattice compound Bi3Mn4O12(NO3) at ambient and high magnetic fields. Relatively broad and monotonically dispersive magnetic excitations were observed at ambient field, where no long range magnetic order exists. In the magnetic field-induced long-range ordered state at 10 T, the magnetic dispersions become slightly more intense, albeit still broad as in the disordered state, and two excitation gaps, probably originating from an easy-plane magnetic anisotropy and intrabilayer interactions, develop. Analyzing the magnetic dispersions using the linear spin-wave theory, we estimated the intraplane and intrabilayer magnetic interactions, which are almost consistent with those determined by ab initio density functional theory calculations [M. Alaei et al., Phys. Rev. B 96, 140404(R) (2017)], except the 3rd and 4th neighbor intrabilayer interactions. Most importantly, as predicted by the theory, there is no significant frustration in the honeycomb plane but frustrating intrabilayer interactions probably give rise to the disordered ground state.
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