We investigate spinon band topology and engineering from the interplay between long-ranged magnetic order and fractionalized spinons, as well as Zeeman coupling under external magnetic fields, in honeycomb lattice magnets. The synergism of Néel order and magnetic fields could reconstruct the spinon bands and drive a topological phase transition from the coexisting phase of long-ranged order and chiral spin liquid with semion topological order to the conventional magnetic order. Our prediction can be immediately tested through thermal Hall transport measurements among the honeycomb lattice magnets that are tuned to be proximate to the quantum critical point. Our theory should also shed light on the critical behavior of honeycomb Kitaev materials with emergent Majorana fermion bands. We suggest a possible relevance to the spin-1/2 honeycomb spin liquid candidate material In$_3$Cu$_2$VO$_9$.
We study the spin-1 honeycomb lattice magnets with frustrated exchange interactions. The proposed microscopic spin model contains first and second neighbor Heisenberg interactions as well as the single-ion anisotropy. We establish a rich phase diagram that includes a featureless quantum paramagnet and various spin spiral states induced by the mechanism of order by quantum disorder. Although the quantum paramagnet is dubbed featureless, it is shown that, the magnetic excitations develop a contour degeneracy in the reciprocal space at the band minima. These contour degenerate excitations are res…
Ab initio study of nontrivial topological phases in corundum structured $($M$_2$O$_3)/($Al$_2$O$_3)_5$ multilayers
\textit{Ab initio}计算已经在由诸如Al $_2$ O $_3$的带绝缘体夹持的M $_2$ O $_3$（M是$5d$系列的几种过渡金属）的六方层上进行，所述带绝缘体提供$5d$电子驻留的蜂窝晶格。这种基于刚玉结构的超晶格是设计具有过渡金属阳离子的蜂窝晶格的最明显的方式，避免了使用大部分极性表面。我们得到，该系统支持狄拉克锥的存在下，在费米能级，开放的自旋轨道耦合在各种填充的$5d$带的介绍。在这项工作中进行的DFT计算表明，$5d^5$的情况下总是一个平凡的绝缘体，而$5d^8$填充呈现拓扑绝缘的配置演变成一个平凡的状态，随着增加的拉伸应变或现场库仑势U。然而，LDA+U计算表明，在每个U值的情况下，$5d^8$的反铁磁稳定的解决方案，这将打破时间反演对称性，并可能影响系统的拓扑性质。我们还讨论了类似的屈曲蜂窝晶格使用钙钛矿（111）双层以前在文献中研究，特别是对于$5d^5$和$5d^8$配置。这项工作提供了一些线索的拓扑相的稳定性，一般使用金属氧化物。
Spin-orbit coupled honeycomb magnets with the Kitaev interaction have received a lot of attention due to their potential of hosting exotic quantum states including quantum spin liquids. Thus far, the most studied Kitaev systems are 4d/5d-based honeycomb magnets. Recent theoretical studies predicted that 3d-based honeycomb magnets, including Na2Co2TeO6 (NCTO), could also be a potential Kitaev system. Here, we have used a combination of heat capacity, magnetization, electron spin resonance measurements alongside inelastic neutron scattering (INS) to study NCTO's quantum magnetism, and we have fo…
By combining single crystal x-ray and neutron diffraction, and the magnetodielectric measurements on single crystal Fe4Nb2O9, we present the magnetic structure and the symmetry-allowed magnetoelectric coupling in Fe4Nb2O9. It undergoes an antiferromagnetic transition at TN=93 K, followed by a displacive transition at TS=70 K. The temperature-dependent dielectric constant of Fe4Nb2O9 is strongly anisotropic with the first anomaly at 93 K due to the exchange striction as a result of the long range spin order, and the second one at 70 K emanating from the structural phase transition primarily dri…
The magnetic and magnetocaloric (MCE) properties were studied in a stuffed honeycomb antiferromagnet GdInO3 polycrystalline. No long-range magnetic ordering was observed with only a sharp upturn in the temperature dependent magnetization curves at TN ~ 2.1 K. The large value of frustration index value ~ 5.0 suggests short-range antiferromagnetic interactions existing between the Gd3+ moments in this frustrated magnetic system. Negligible thermal and magnetic hysteresis suggest a second-order feature of phase transition and a reversible magnetocaloric effect (MCE) in GdInO3 compound. In the mag…
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…
Motivated by the recent numerical simulations for doped $t$-$J$ model on the honeycomb lattice, we study superconductivity of singlet and triplet pairing on the honeycomb lattice Hubbard model. We show that a superconducting state with coexisting spin-singlet and spin-triplet pairings is induced by the antiferromagnetic order near half filling. The superconducting state we obtain has a topological phase transition that separates a topologically trivial state and a nontrivial state with Chern number two. Possible experimental realization of such a topological superconductivity is also discussed…
Despite being relevant to better understand the properties of honeycomb-like systems, as graphene-based compounds, the electron-phonon interaction is commonly disregarded in theoretical approaches. That is, the effects of phonon fields on \textit{interacting} Dirac electrons is an open issue, in particular when investigating long-range ordering. Thus, here we perform unbiased quantum Monte Carlo simulations to examine the Hubbard-Holstein model (HHM) in the half-filled honeycomb lattice. By performing careful finite-size scaling analysis, we identify semimetal-to-insulator quantum critical poi…
Recent theoretical studies have suggested that Kitaev physics and such effects as formation of a mysterious spin-liquid state can be expected not only in RuCl3 and iridates, but also in conventional $3d$ transition metal compounds. Using DC and AC magnetometry, thermodynamic and $^{23}$Na nuclear magnetic resonance measurements (NMR) we studied such a candidate material Na3Co2SbO6. A full phase diagram of Na3Co2SbO6 in a wide range of magnetic fields and temperatures is presented. The results demonstrate transformation of the antiferromagnetic structure under the external magnetic field, gradu…
Through analysis of single crystal neutron diffraction data, we present the magnetic structures of magnetoelectric Co4Nb2O9 under various magnetic fields. In zero-field, neutron diffraction experiments below TN=27 K reveal that the Co2+ moments order primarily along the a* direction without any spin canting along the c axis, manifested by the magnetic symmetry C2/c'. The moments of nearest neighbor Co atoms order ferromagnetically with a small cant away from the next nearest neighbor Co moments along the c axis. In the applied magnetic field H//a, three magnetic domains were aligned with their…
We investigated the static and dynamic magnetic properties of the polar ferrimagnet Mn$_2$Mo$_3$O$_8$ in three magnetically ordered phases via magnetization, magnetic torque, and THz absorption spectroscopy measurements. The observed magnetic field dependence of the spin-wave resonances, including Brillouin zone-center and zone-boundary excitations, magnetization, and torque, are well described by an extended two-sublattice antiferromagnetic classical mean-field model. In this orbitally quenched system, the competing weak easy-plane and easy-axis single-ion anisotropies of the two crystallogra…
Phase diagram of a Hubbard model for Majorana fermions on the honeycomb lattice is explored using a combination of field theory, renormalization group and mean-field arguments, as well as exact numerical diagonalization. Unlike the previously studied versions of the model we find that even weak interactions break symmetries and lead to interesting topological phases. We establish two topologically nontrivial phases at weak coupling, one gapped with chiral edge modes, and the other gapless with anti-chiral edge modes. At strong coupling a mapping onto a novel frustrated spin-${1\over 2}$ model …
We investigated the magnetic properties of the ilmenite-type iridate CdIrO$_3$ with a honeycomb lattice formed by Ir$^{4+}$ ions prepared via a solid-state metathesis. The magnetization measurements with using the powder sample reveal a large effective magnetic moment and a fairly strong antiferromagnetic interaction, indicating a deviation from the Kitaev model. Considering the relationship between magnetism and crystal structure in CdIrO$_3$ with comparing with the other ilmenite-type iridates ZnIrO$_3$ and MgIrO$_3$, we conclude that insulating CdIrO$_3$ cannot be describe as a $J_{\rm eff}…
Motivated by recent experimental observations in $α$-RuCl$_3$, we study the $K$-$Γ$ model on the honeycomb lattice in an external magnetic field. By a slave-particle representation and Variational Monte Carlo calculations, we reproduce the phase transition from zigzag magnetic order to a field-induced disordered phase. The nature of this state depends crucially on the field orientation. For particular field directions in the honeycomb plane, we find a gapless Dirac spin liquid, in agreement with recent experiments on $α$-RuCl$_3$. For a range of out-of-plane fields, we predict the existence of…
We study numerically a bosonic analog of the Kitaev honeycomb model, which is a minimal model for $4d^4/5d^4$ quantum magnets with honeycomb lattice geometry. We construct its phase diagram by a combination of Landau theory analysis and quantum Monte Carlo simulations. In particular, we show that the phase boundaries between the paramagnetic state and magnetically ordered states are generically fluctuation-induced first order phase transitions. Our results are potentially applicable to Ru$^{4+}$- and Ir$^{5+}$-based honeycomb magnets.
Searching for spin liquids on the honeycomb J1-J2 Heisenberg model has been attracting great attention in the past decade. In this Paper we investigate the topological properties of the J1-J2 Heisenberg model by introducing nearest-neighbour and next-nearest-neighbour bond parameters. We find that there exist two topologically different phases in the spin disordered regime 0.2<J2/J1<0.5: for J2/J1<0.32, the system is a zero-flux spin liquid which is topological trivial and gapless; for J2/J1>0.32, it is a pi-flux chiral spin liquid, which is topological nontrivial and gapped. These results sug…
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 antiferromag…
The temperature-magnetic-field phase diagram of the mixed honeycomb triangular lattice system K$_{2}$Mn$_{3}$(VO$_{4}$)$_{2}$CO$_{3}$ is investigated by means of magnetization, heat capacity and neutron scattering measurements. The results indicate that triangular and honeycomb magnetic layers undergo sequential magnetic orderings and act as nearly independent magnetic sublattices. The honeycomb sublattice orders at about 85 K in a Neél-type antiferromagnetic structure, while the triangular sublattice displays two consecutive ordered states at much lower temperatures, 3 K and 2.2 K. The ground…
An exact solution (incomplete) of the ground-state problem for an Ising model in an external field on a 3D honeycomb zigzag-ladder lattice with two types of sites is found. It is shown that the geometrical frustration due to the presence of triangle elements leads to the emergence of a variety of magnetic phases. The majority of these are partially disordered (highly degenerate). The theoretical results are used to explain the sequence of experimentally observed phase transitions in the honeycomb zigzag-ladder magnets and to predict the appearance of new phases.
Lattice Wigner crystal states stabilized by long-range Coulomb interactions have recently been realized in two-dimensional moiré materials. We employ large-scale unrestricted Hartree-Fock techniques to unveil the magnetic phase diagrams of honeycomb lattice Wigner crystals. For the three lattice filling factors with the largest charge gaps, n = 2/3, 1/2, 1/3, the magnetic phase diagrams contain multiple phases, including ones with non-collinear and non-coplanar spin arrangements. We discuss magnetization evolution with external magnetic field, which has potential as an experimental signature o…
The topological properties of hardcore bosons on ribbons of honeycomb lattice are studied using quantum Monte Carlo simulations. We map out a rich phase diagram with the superfluid and insulator phases at various fillings. Particularly, it is revealed that the insulator state at half filling is a topological bosonic state, which is characterized by a nontrivial Berry phase and a pair of edge states. We provide intuitive picture to understand this topological bosonic insulator state by showing that it can be adiabatically mapped to a topological fermionic model. It is also shown that the topolo…
The discovery of monolayer graphene has initiated two fertile fields in modern condensed matter physics, Dirac semimetals and atomically-thin layered materials. When these trends meet again in transition metal compounds, which possess spin and orbital degrees of freedom and strong electron correlations, more exotic phenomena are expected to emerge in the cross section of topological states of matter and Mott physics. Here, we show by using ab initio calculations that a monolayer form of transition metal trichalcogenides (TMTs), which has a honeycomb network of transition metal cations, may exh…
We explore the magnetic properties of isolated a-b planes of trinuclear organometallic crystals, Mo3S7(dmit)3, in which an interplay of strong electronic correlations and spin molecular-orbital coupling (SMOC) occurs. The magnetic properties can be described by a XXZ+120, S=1 Heisenberg model on a honeycomb lattice with single-spin anisotropy, D, which depends strongly on SMOC. Based on ab initio estimates of SMOC in Mo3S7(dmit)3 crystals, we predict that the honeycomb layers of Mo3S7(dmit)3 are Neel ordered. However, in materials with a greater degree of magnetic frustration, Neel order can g…
Layered honeycomb magnets are of interest as potential realizations of the Kitaev quantum spin liquid (KQSL), a quantum state with long-range spin entanglement and an exactly solvable Hamiltonian. Conventional magnetically ordered states are present for all currently known candidate materials, however, because non-Kitaev terms in the Hamiltonians obscure the Kitaev physics. Current experimental studies of the KQSL are focused on 4d- or 5d-transition-metal-based honeycombs, in which strong spin-orbit coupling can be expected, yielding Kitaev interaction that dominate in an applied magnetic fiel…
Topological spin textures, such as a skyrmion crystal, are a source of unusual physical phenomena owing to the interplay between magnetism and topology. Since physical phenomena depend on the topological property and the symmetry of underlying spin structures, the search for new topological spin textures and emergent phenomena is one of the challenges in condensed matter physics. In this letter, we theoretically explore new topological spin textures arising from the synergy between spin, charge, and sublattice degrees of freedom in an itinerant magnet. By performing simulated annealing for an …
We report magnetic properties of a 4f-honeycomb iodide SmI3 made up of edge-shared network of SmI6 octahedra. High temperature magnetic susceptibility indicates Γ7 Kramers doublet ground state of Sm3+ (4f5) ions stabilized by the spin-orbit coupling and octahedral crystal electric field, which interact with Sm-I-Sm bond angle nearly 90 degree. Magnetization measurements down to 0.1 K detected antiferromagnetic correlations and an anomaly in the magnetization curve before saturation without a sign of long-range order. Relevance between SmI3 and the antiferromagnetic Kitaev material proposed in …
We study the rare-earth magnets on a honeycomb lattice, and are particularly interested in the experimental consequences of the highly anisotropic spin interaction due to the spin-orbit entanglement. We perform a high-temperature series expansion using a generic nearest-neighbor Hamiltonian with anisotropic interactions, and obtain the heat capacity, the parallel and perpendicular spin susceptibilities, and the magnetic torque coefficients. We further examine the electron spin resonance linewidth as an important signature of the anisotropic spin interactions. Due to the small interaction energ…
