We report the dependence of magnetic properties on the crystalline disorder in Li$_{2}$RuO$_3$ with Ru honeycomb lattice. This oxide exhibits unconventional Ru-dimer transition below $T_\text{d} \sim$ 540 K. We demonstrate that the cell parameters, related to the coherence of the dimer formation, are strongly dependent on the synthesis procedure. We show that the magnetic behavior at the dimer transition is closely related to the lattice parameters. In particular, we revealed that samples with well-ordered dimers exhibit a first-order magnetic transition with the onset exceeding 550~K, higher than that reported previously. We discuss possible dimer configurations leading to this magneto-lattice coupling.
The honeycomb-lattice ruthenate Li$_2$RuO$_3$ is made heavily Li-deficient by chemical oxidation by iodine. The delithiation triggers a different phase Li$_{2-x}$RuO$_3$, the "D-phase", with superlattice. For the first time we disclose the magnetic and structural properties of the D-phase in the dimer-solid state. The low temperature magnetic susceptibility and the bond lengths indicate a bonding configuration consisting of both Ru$^{4+}$-Ru$^{4+}$ and Ru$^{5+}$-Ru$^{5+}$ dimers.
We investigate the role of electron correlation in the electronic structure of honeycomb lattice Li$_2$RuO$_3$ using photoemission spectroscopy and band structure calculations. Monoclinic Li$_2$RuO$_3$ having Ru network as honeycomb lattice undergoes magneto-structural transition at T$_c$ $\sim$ 540 K from high temperature phase $C2/m$ to low temperature dimerized phase $P2_1/m$. Room temperature valence band photoemission spectra reveal an insulating ground state with no intensity at Fermi level ($E_F$). Ru 4$d$ band extracted from high and low photon energy valence band photoemission spectra…
We measured the temperature dependence of low-frequency Raman spectra in Li$_2$RuO$_3$, and observed multipeak quasielastic scattering in the Ru honeycomb polarizations below and above the magnetostructural transition temperature. We attribute this scattering to the fluctuations of the energy density in the spin system. High-frequency electronic light scattering was observed at 2150 $cm^{-1}$. Its intensity increased significantly below the transition temperature, confirming substantial modification of electronic structure due to removal of degeneracy in $t_{2g}$-manifold of Ru$^{4+}$ ions.
Li2RuO3 undergoes a structural transition at a relatively high temperature of 550 K with a distinct dimerization of Ru-Ru bonds on the otherwise isotropic honeycomb lattice. It exhibits a unique herringbone dimerization pattern with a largest ever reported value of the bond shrinkage of about ~ 0.5 Å. Despite extensive studies, both theoretical and experimental, however, its origin and its effect on physical properties still remain to be understood. In this work, using high quality single crystals we investigated the anisotropy of resistivity ($ρ$) and magnetic susceptibility ($χ$) to find a v…
Li$_2$RuO$_3$ is known to crystallize in either $C2/m$ or $P2_1/m$ structures at room temperature. We report the first single crystal growth of Li$_2$RuO$_3$ and Na substituted crystals (Li$_{0.95}$Na$_{0.05}$)$_{2}$RuO$_3$ crystallizing in the $P2_1/m$ structure where a magneto-structural transition is observed at high temperatures. Using high temperature ($T \leq 1000$~K) magnetic susceptibility $χ$ measurements we study the magnetic anisotropy across the magneto-structural transition. Our results show for the first time that for Li$_2$RuO$_3$ the magnetic and structural transitions most lik…
Within the linear flavor-wave theory, we show that, caused by quantum order-by-disorder mechanism, the spin-1 bilinear-biquadratic Heisenberg model defined on a honeycomb lattice can spontaneously develop a columnar dimer order with a non-bipartite structure. The low-lying excitations above this novel ground state form several flat bands separated by nonzero energy gaps. Our results suggest that the quantum phase transition separating this dimerized phase with the nearby Néel-order one may be of first order.
We report the synthesis and characterisation of polycrystalline Na$_2$RuO$_3$, a layered material in which the Ru$^{4+}$ ($4d^4$ configuration) form a honeycomb lattice. The optimal synthesis condition was found to produce a nearly ordered Na$_2$RuO$_3$ ($C2/c$ phase), as assessed from the refinement of the time-of-flight neutron powder diffraction. Magnetic susceptibility measurements reveal a large temperature-independent Pauli paramagnetism ($χ_0 \sim 1.42(2)\times10^{-3}$ emu/mol Oe) with no evidence of magnetic ordering down to 1.5 K, and with an absence of dynamic magnetic correlations, …
We study a generalized honeycomb lattice spin-1/2 Heisenberg model with nearest-neighbor antiferromagnetic 2-spin exchange, and competing 4-spin interactions which serve to stabilize a staggered dimer state which breaks lattice rotational symmetry. Using a combination of quantum Monte Carlo numerics, spin wave theory, and bond operator theory, we show that this model undergoes a strong first-order transition between a Neel state and a staggered dimer state upon increasing the strength of the 4-spin interactions. We attribute the strong first order character of this transition to the spinless n…
We present an antiferromagnetic quantum spin-1/2 model on honeycomb lattice. It has two parts, one of which is the usual nearest-neighbor Heisenberg model. The other part is a certain multiple spin interaction term, introduced by us, which is exactly solvable for the ground state. Without the Heisenberg part, the model has an exact threefold degenerate dimer ground state. This exact ground state is also noted to exist for the general spin-S case. For the spin-1/2 case, we further carry out the triplon analysis in the ground state, to study the competition between the Heisenberg and the multipl…
$Li_{2}RuO_{3}$ with a honeycomb structure undergoes a drastic transition from a regular honeycomb lattice with the $C2/m$ space group to a valence bond solid state of the $P2_{1}/m$ space group with an extremely strong dimerization at 550 K. We synthesized $Li_{2}Ru_{1-x}Mn_{x}O_{3}$ with a full solid solution and investigated doping effects on the valence bond solid state as a function of Mn content. The valence bond solid state is found to be stable up to $x = 0.2$, based on our extensive experiments: structural studies, resistivity, and magnetic susceptibility. On the other hand, the exten…
In quantum magnetism spin dimers are typically associated with spin-singlet states. To date, $triplet$ $dimerization$ has not been observed in any 3D or quasi-2D material. With this in mind we here discuss the electronic structure of the spin-orbit driven $5d^5$ Mott insulator Li$_2$IrO$_3$, a honeycomb-lattice system with two crystallographically inequivalent Ir-Ir bonds. From $ab$ $initio$ many-body calculations we find that, while both Heisenberg and Kitaev couplings are present, the magnetic interactions are dominated by a strong isotropic ferromagnetic exchange on only one set of bonds. T…
Coupled dimerized alternating-bond quantum spin chains in the distorted honeycomb-lattice magnet Cu$_5$SbO$_6$
Mahidol University（马希隆大学）；Thailand Center of Excellence in Physics, Commission of Higher Education（泰国物理卓越中心，高等教育委员会）；Tohoku University（东北大学）；Tokyo University of Science（东京科学大学）；National Taiwan University（台湾大学）；Taiwan Consortium of Emergent Crystalline Materials, National Science and Technology Council（台湾新兴晶体材料联盟，国家科学技术委员会）；Center of Atomic Initiative for New Materials, National Taiwan University（台湾大学新物质原子倡议中心）；J-PARC Center（J-PARC中心）；University of Maryland（马里兰大学）；National Institute of Standards and Technology（美国国家标准与技术研究院）
When an electronic system has strong correlations and a large spin-orbit interaction, it often exhibits a plethora of mutually competing quantum phases. How a particular quantum ground state is selected out of several possibilities is a very interesting question. However, equally fascinating is how such a quantum entangled state breaks up due to perturbation. This important question has relevance in very diverse fields of science from strongly correlated electron physics to quantum information. Here we report that a quantum entangled dimerized state or valence bond crystal (VBC) phase of Li2Ru…
Single-crystal x-ray diffraction studies with synchrotron radiation on the honeycomb iridate $α$-Li$_{2}$IrO$_{3}$ reveal a pressure-induced structural phase transition with symmetry lowering from monoclinic to triclinic at a critical pressure of $P_{c}$ = 3.8 GPa. According to the evolution of the lattice parameters with pressure, the transition mainly affects the $ab$ plane and thereby the Ir hexagon network, leading to the formation of Ir--Ir dimers. These observations are independently predicted and corroborated by our \textit{ab initio} density functional theory calculations where we find…
We discuss the ground state of the spin-orbital model for spin-one ions with partially filled $t_{2g}$ levels on a honeycomb lattice. We find that the orbital degrees of freedom induce a spontaneous dimerization of spins and drive them into nonmagnetic manifold spanned by hard-core dimer (spin-singlet) coverings of the lattice. The cooperative ``dimer Jahn-Teller'' effect is introduced through a magnetoelastic coupling and is shown to lift the orientational degeneracy of dimers leading to a peculiar valence bond crystal pattern. The present theory provides a theoretical explanation of nonmagne…
We study bond and spin correlations of the nearest-neighbour resonating valence bond (RVB) wavefunction for a SU($2$) symmetric $S=1/2$ antiferromagnet on the honeycomb lattice. We find that spin correlations in this wavefunction are short-ranged, while the bond energy correlation function takes on an oscillatory power-law form $D(\vec{r}) \sim \cos({\mathbf Q}\cdot {\vec{r}}) /|{\vec{r}}|^{η_w(2)}$, where ${\mathbf Q} = (2π/3, -2π/3)$ is the wavevector corresponding to "columnar" valence-bond solid order on the honeycomb lattice, and $η_w(2) \approx 1.49(3)$. We use a recently introduced larg…
The honeycomb lattice material Li2RuO3 undergoes a dimerization of Ru4+ cations on cooling below 270C, where the magnetic susceptibility vanishes. We use density functional theory calculations to show that this reflects the formation of a 'valence bond crystal', with a strong bond disproportionation. On warming, x-ray diffraction shows that discrete three-fold symmetry is regained on average, and the dimerization apparently disappears. In contrast, local structural measurements using high-energy x-rays, show that disordered dimers survive at the nanoscale up to at least 650C. The high temperat…
We investigate the ground-state properies of the $K-Γ$ model on a honeycomb lattice using series expansions and numerical exact diagonalizations, where the model includes Kitaev ($K$) and symmetric off-diagonal ($Γ$) interactions. Starting from the weakly interacting dimers on the specific bond, we strengthen the interdimer interactions to the isotropically interacting system. We show that depending on $Γ$ and $K$, the dimer state survives up to the isotropically interacting system, where the phase transition occurs, or obeys a phase transition to a magnetically ordered state at an anisotropic…
We study S=1/2 Heisenberg model on the honeycomb lattice with first and second neighbor antiferromagnetic exchange (J_{1}-J_{2} model), employing exact diagonalization in both S_z=0 basis and nearest neighbor singlet valence bond (NNVB) basis. We find that for 0.2<J_2/J_1<0.3, NNVB basis gives a proper description of the ground state in comparison with the exact results. By analyzing the dimer-dimer as well as plaquette-plaquette correlations and also defining appropriate structure factors, we investigate possible symmetry breaking states as the candidate for the ground state in the frustrated…
We study a generalized quantum hard-core dimer model on the square and honeycomb lattices, allowing for first and second neighbor dimers. At generalized RK points, the exact ground states can be constructed, and ground-state correlation functions can be equated to those of interacting 1+1 dimensional Grassmann fields. When the concentration of second neighbor dimers is small, the ground state correlations are shown to be short-ranged corresponding to a (gaped) spin liquid phase. On a 2-torus, the ground states exhibit fourfold topological degeneracy. On a finite cylinder we have found a dramat…
Bilayer honeycomb lattice, with inter-layer tunneling energy, has a parabolic dispersion relation, which causes the charge imbalance between two sublattices. Here, we investigate the metal-insulator and magnetic phase transitions on the strongly correlated bilayer honeycomb lattice by cellular dynamical mean-field theory combined with continuous time quantum Monte Carlo method. We find that different kinds of magnetic spontaneous symmetry breaking on dimer and non-dimer sites, cause a novel phase transition between normal anti-ferromagnet and layer anti-ferromagnet. We sketch the phase diagram…
In this paper, we investigate the ground-state phase diagram of the $S=1/2$ Heisenberg-$Γ$ model on a honeycomb lattice by dimer series expansion and exact diagonalization. We focus on the effects of the anisotropy of the interactions; by tuning the coupling constants, the system changes between the isolated dimer and the spin-chain models. We find that, in the spin-chain limit, there are three kinds of states: a Tomonaga-Luttinger liquid and two magnetically long-range-ordered states. All three states become two-dimensional long-range ordered states by the infinitesimal interchain interaction…
First-principles calculations and simulations are conducted to clarify the nonmagnetic insulating ground state of the honeycomb lattice compound Na2RuO3 with 4d^4 electronic configuration and explore the evolutions of crystal structure and electronic property under pressure. We reveal that individual Coulomb correlation or spin-orbit coupling (SOC) effect cannot reproduce the experimentally observed nonmagnetic insulating behavior of Na2RuO3, whereas the Coulomb correlation enhanced SOC interactions give rise to an unusual spin-orbital-entangled J = 0 nonmagnetic insulating state, which contra…
Motivated by the current interest in the quantum dimer model on the triangular lattice, we investigate the phase diagram of the closely related fully-frustrated transverse field Ising model on the honeycomb lattice using classical and semi-classical approximations. We show that, in addition to the fully polarized phase at large field, the classical model possesses a multitude of phases that break the translational symmetry which in the dimer language, correspond to a plaquette phase and a columnar phase separated by an infinite cascade of mixed phases. The modification of the phase diagram by …
We investigate a spin-$1/2$ two-leg honeycomb ladder with frustrating next-nearest-neighbor (NNN) coupling along the legs, which is equivalent to two $J_1$-$J_2$ spin chains coupled with $J_\perp$ at odd rungs. The full parameter region of the model is systematically studied using conventional and infinite density-matrix renormalization group as well as bosonization. The rich phase diagram consists of five distinct phases: A Haldane phase, a NNN-Haldane phase and a staggered dimer phase when $J_{\perp} < 0$; a rung singlet phase and a columnar dimer phase when $J_{\perp} > 0$. An interesting r…
We study the spin-1/2 Heisenberg antiferromagnet on a bilayer honeycomb lattice including interlayer frustration. Using a set of complementary approaches, namely Schwinger bosons, dimer series expansion, bond operators, and exact diagonalization, we map out the quantum phase diagram. Analyzing ground state energies and elementary excitation spectra, we find four distinct phases, corresponding to three collinear magnetic long range ordered states, and one quantum disordered interlayer dimer phase. We detail, that the latter phase is adiabatically connected to an "exact" singlet product ground s…
An effective model in the isolated dimer limit of the Kitaev-type model on a decorated honeycomb lattice is investigated at finite temperature. The ground state of this model is exactly shown to be a chiral spin liquid with spontaneous breaking of time reversal symmetry. We elaborate the finite-temperature phase diagram by using the mean-field approximation and Monte Carlo simulation. We find that the phase transition between the high-temperature paramagnetic phase and the low-temperature chiral spin liquid phase is always of second order in the Monte Carlo results, although a tricritical poin…
When spin-orbit-entangled $d$-electrons reside on a honeycomb lattice, rich quantum states are anticipated to emerge, as exemplified by the $d^5$ Kitaev materials. Distinct yet equally intriguing physics may be realized with a $d$-electron count other than $d^5$. We found that the layered ruthenate Ag$_3$LiRu$_2$O$_6$ with $d^4$ Ru$^{4+}$ ions at ambient pressure forms a honeycomb lattice of spin-orbit-entangled singlets, which is a playground for frustrated excitonic magnetism. Under pressure, the singlet state does not develop the expected excitonic magnetism but experiences two successive t…
Recent work shows that a quantum spin liquid can arise in realistic fermionic models on a honeycomb lattice. We study the quantum spin-1/2 Heisenberg honeycomb model, considering couplings J1, J2, and J3 up to third nearest neighbors. We use an unbiased pseudofermion functional renormalization group method to compute the magnetic susceptibility and determine the ordered and disordered states of the model. Aside from antiferromagnetic, collinear, and spiral order domains, we find a large paramagnetic region at intermediate J2 coupling. For larger J2 within this domain, we find a strong tendency…
Conflicting predictions have been made for the ground state of the SU(3) Heisenberg model on the honeycomb lattice: Tensor network simulations found a plaquette order [Zhao et al, Phys. Rev. B 85, 134416 (2012)], where singlets are formed on hexagons, while linear flavor-wave theory (LFWT) suggested a dimerized, color ordered state [Lee and Yang, Phys. Rev. B 85, 100402 (2012)]. In this work we show that the former state is the true ground state by a systematic study with infinite projected-entangled pair states (iPEPS), for which the accuracy can be systematically controlled by the so-called …
Substitution effects of Os for Ru in α-RuCl3 are investigated in a wide composition range of 0 =< x =< 0.67 in Ru1-xOsxCl3 by X-ray and electron diffraction, magnetic susceptibility, heat capacity, and Raman spectroscopy measurements. Apart from the Kitaev physics with antiferromagnetic interactions increasing with x, a rich phase diagram is obtained, which includes an antiferromagnetic long-range order below 12 K for x =< 0.15, a dome-shaped spin-singlet dimer phase below 130 K for 0.15 =< x =< 0.40, and a magnetic short-range order for x > 0.40. A dimerization as similarly observed in α-RuCl…
With large spin-orbit coupling, the $t_{2g}^5$ electron configuration in $d$-metal oxides is prone to highly anisotropic exchange interactions and exotic magnetic properties. In $5d^5$ iridates, given the existing variety of crystal structures, the magnetic anisotropy can be tuned from antisymmetric to symmetric Kitaev-type, with interaction strengths that outsize the isotropic terms. By many-body electronic-structure calculations we here address the nature of the magnetic exchange and the intriguing spin-glass behavior of Li$_2$RhO$_3$, a $4d^5$ honeycomb oxide. For pristine crystals without …
The spin-1/2 Heisenberg antiferromagnet on the distorted honeycomb (DHC) lattice is studied by means of the tensor renormalization group method. It is unveiled that the system has a quantum phase transition of second-order between the gapped quantum dimer phase and a collinear Neel phase at the critical point of coupling ratio α_{c} = 0.54, where the quantum critical exponents ν= 0.69(2) and γ= 1.363(8) are obtained. The quantum criticality is found to fall into the O(3) universality class. A ground-state phase diagram in the field-coupling ratio plane is proposed, where the phases such as the…
The ground state phase diagram of the dimerized spin-1/2 XX honeycomb model in presence of a transverse magnetic field (TF) is known. With the absence of the magnetic field, two quantum phases, namely, the Néel and the dimerized phases have been identified. Moreover, canted Néel and the paramagnetic (PM) phases also emerge by applying the magnetic field. In this paper, using two complementary numerical exact techniques, Lanczos exact diagonalization, and Density matrix renormalization group (DMRG) methods, we study this model by focusing on the quantum correlations, the concurrence, and the qu…
Using a hybrid method based on fermionic diagonalization and classical Monte Carlo, we investigate the interplay between itinerant and localized spins, with competing double- and super-exchange interactions, on a honeycomb lattice. For moderate superexchange, a geometrically frustrated triangular lattice of hexagons forms spontaneously. For slightly larger superexchange a dimerized groundstate is stable that has macroscopic degeneracy. The presence of these states on a non-frustrated honeycomb lattice highlights a novel phenomenon in this itinerant electron system: emergent geometrical frustra…
The Johns Hopkins University（约翰斯·霍普金斯大学）；Institute for Quantum Matter, William H. Miller III Department of Physics and Astronomy（量子物质研究所，威廉·H·米勒三世物理与天文系）；Quantum Matter Institute, University of British Columbia（不列颠哥伦比亚大学量子物质研究所）；Neutron Scattering Division, Oak Ridge National Laboratory（橡树岭国家实验室中子散射部）；Department of Physics & Astronomy, University of British Columbia（不列颠哥伦比亚大学物理与天文系）；Centre for Molecular and Materials Science, TRIUMF（TRIUMF分子与材料科学中心）
We study the nearest-neighbor exchange ($J_1$) and second-neighbor exchange ($J_2$) XY antiferromagnet on the honeycomb lattice using ground state series expansions around N{é}el, columnar and dimer phases. The conventional two-sublattice XY N{é}el order at small $J_2$ vanishes at $J_2/J_1=0.22\pm 0.01$ in agreement with results from Density Matrix Renormalization Group (DMRG) studies. Near the transition, we find evidence for an {\it approximate} emergent symmetry between XY and Ising degrees of freedom, namely the nearest-neighbor Ising and XY spin correlations become nearly equal. This sugg…
We study the combined effects of lattice deformation, e-e interaction and spin-orbit coupling in a two-dimensional (2D) honeycomb lattice. We adopt different kinds of hopping modulation--generalized dimerization and a Kekule distortion--and calculate topological invariants for the non-interacting system and for the interacting system. We identify the parameter range (Hubbard U, hopping modulation, spin-orbit coupling) where the 2D system behaves as a trivial insulator or Quantum Spin Hall Insulator.
We studied the effect of external pressure on the electrodynamic properties of $α$-Li$_2$IrO$_3$ single crystals in the frequency range of the phonon modes and the Ir $d$-$d$ transitions. The abrupt hardening of several phonon modes under pressure supports the onset of the dimerized phase at the critical pressure $P_c$=3.8 GPa. With increasing pressure an overall decrease in spectral weight of the Ir $d$-$d$ transitions is found up to $P_c$. Above $P_c$, the local (on-site) $d$-$d$ excitations gain spectral weight with increasing pressure, which hints at a pressure-induced increase in the octa…
We consider the $(2+1)$-d $SU(2)$ quantum link model on the honeycomb lattice and show that it is equivalent to a quantum dimer model on the Kagomé lattice. The model has crystalline confined phases with spontaneously broken translation invariance associated with pinwheel order, which is investigated with either a Metropolis or an efficient cluster algorithm. External half-integer non-Abelian charges (which transform non-trivially under the $\mathbb{Z}(2)$ center of the $SU(2)$ gauge group) are confined to each other by fractionalized strings with a delocalized $\mathbb{Z}(2)$ flux. The strand…
The quantum phase transition, scaling behaviors, and thermodynamics in the spin-1/2 quantum Heisenberg model with antiferromagnetic coupling $J>0$ in armchair direction and ferromagnetic interaction $J'<0$ in zigzag direction on a honeycomb lattice are systematically studied using the continuous-time quantum Monte Carlo method. By calculating the Binder ratio $Q_{2}$ and spin stiffness $ρ$ in two directions for various coupling ratio $α=J'/J$ under different lattice sizes, we found that a quantum phase transition from the dimerized phase to the stripe phase occurs at the quantum critical point…
Magnetization plateaus, spin-canted orders and field-induced transitions in a spin-1/2 Heisenberg antiferromagnet on a distorted diamond-decorated honeycomb lattice
Institute of Physics, Faculty of Science, P. J. Šafárik University（帕日·沙法里克大学理学院物理研究所）
We study hard-core bosons on the honeycomb lattice in the presence of anisotropic nearest-neighbor repulsive interactions. Using a quantum Monte Carlo (QMC) technique, we extract the phase diagram of the model in terms of the filling and the anisotropy. At half-filling we find a dimer insulator phase near maximum anisotropy that is characterized by a finite topological entanglement entropy $\ln(2)/2$, indicative of a fractional quantum Hall state for bosons. We identify the presence of edge states and derive a QMC-based method to extract and verify their chirality. Remarkably, this phase arise…
We study the single-orbital Hubbard model on the half-filled decorated honeycomb lattice. In the non-interacting theory at half-filling the Fermi energy lies within a flat band where strong correlations are enhanced. The lattice is highly frustrated. We find a correlation driven first-order metal-insulator transition to two different insulating ground states - a dimer valence bond solid Mott insulator when inter-triangle correlations dominate, and a broken $\mathcal{C}_3$-symmetry antiferromagnet that arises from frustration when intra-triangle correlations dominate. The metal-insulator transi…
A new-type structural transition has been found in Li2RuO3 with honeycomb lattice of edge-sharing RuO6-octahedra. With decreasing temperature T, the electrical resistivity exhibits an anomalous increase at T=Tc~540 K, suggesting the (metal to insulator)-like transition and the magnetic susceptibility also shows a sharp decrease. Detailed structure analyses have revealed that the high temperature space group C2/m changes to P21/m at Tc. The most striking fact is that a significant reduction of the bond lengths is found between two of six Ru-Ru pairs of the hexagon in the low temperature phase, …
Motivated by recent experiments on Bi$_3$Mn$_4$O$_{12}$(NO$_3$), and a broader interest arising from numerical work on the honeycomb lattice Hubbard model, we have studied the effect of a magnetic field on honeycomb lattice spin models with quantum paramagnetic ground states. For a model with frustrating second-neighbor exchange, $J_2$, we use a Lindemann-like criterion within spin wave theory to show that Néel order melts beyond a critical $J_2$. The critical $J_2$ increases with a magnetic field, implying the existence of a field-induced paramagnet-Néel transition over a range of $J_2$. We a…
Spin-1/2 Heisenberg diamond-like decorated honeycomb lattice in a magnetic field from the perspective of localized magnons and exact diagonalization
Faculty of Science, P. J. Šafárik University（帕·约·沙法里克大学理学院）；Laboratoire de Physique Théorique et Modélisation, CNRS UMR 8089, CY Cergy Paris Université（CY塞尔吉巴黎大学，CNRS UMR 8089理论物理与建模实验室）
Motivated by recent experiments on the spin-3/2 frustrated bilayer honeycomb antiferromagnet Bi$_3$Mn$_4$O$_{12}$(NO$_3$), we study the spin-S Heisenberg model on the honeycomb lattice with various additional exchange interactions which frustrate Néel order. Using spin wave theory, exact diagonalization, and bond operator theory, we consider the effects of (i) second-neighbor exchange, (ii) biquadratic exchange for $S = 3/2$ which leads to an AKLT valence bond solid, and (iii) bilayer coupling which leads to an interlayer dimer solid. We show that the resulting paramagnetic states undergo a tr…
We study the frustrated Heisenberg model on the bilayer honeycomb lattice. The ground-state energy and spin gap are calculated, using different bosonic representations at mean field level and numerical calculations, to explore different sectors of the phase diagram. In particular we make use of a bond operator formalism and series expansion calculations to study the extent of dimer inter-layer phase. On the other hand we use the Schwinger boson method and exact diagonalization on small systems to analyze the evolution of on-layer phases. In this case we specifically observe a phase that presen…
Using the coupled cluster method we study the phase diagram of the spin-1/2 Heisenberg antiferromagnet on a honeycomb lattice with nearest-neighbor exchange coupling $J_{1}>0$ and frustrating next-nearest-neighbor coupling $J_{2} \equiv xJ_{1}>0$. In the range $0<x<1$ we find four phases exhibiting respectively Néel, 6-spin plaquette, staggered dimer, and Néel-II orderings, with quantum critical points at $x_{c_{1}} \approx 0.207(3), x_{c_{2}} \approx 0.385(10)$, and $x_{c_{3}} \approx 0.65(5)$. The transitions at $x_{c_{1}}$ and $x_{c_{3}}$ appear to be continuous (and hence deconfined) ones,…
Motivated by recent experiments on Bi$_3$Mn$_4$O$_{12}$(NO$_3$), we study a frustrated $J_1$-$J_2$ Heisenberg model on the two dimensional (2D) honeycomb lattice. The classical $J_1$-$J_2$ Heisenberg model on the two dimensional (2D) honeycomb lattice has Néel order for $J_2 < J_1/6$. For $J_2 > J_1/6$, it exhibits a one-parameter family of degenerate incommensurate spin spiral ground states where the spiral wave vector can point in any direction. Spin wave fluctuations at leading order lift this accidental degeneracy in favor of specific wave vectors, leading to spiral order by disorder. For …
We have investigated the quantum $J_1-J_2-J_3$ model on the honeycomb lattice with exact diagonalizations and linear spin-wave calculations for selected values of $J_{2}/J_{1}$, $J_{3}/J_{1}$ and antiferromagnetic ($J_{1}>0$) or ferromagnetic ($J_{1}<0$) nearest neighbor interactions. We found a variety of quantum effects: "order by disorder" selection of a N{é}el ordered ground-state, good candidates for non-classical ground-states with dimer long range order or spin-liquid like. The purely antiferromagnetic Heisenberg model is confirmed to be N{é}el ordered. Comparing these results with thos…
By using a variational Monte Carlo technique based upon Gutzwiller-projected fermionic states, we investigate the dynamical structure factor of the antiferromagnetic $S=1/2$ Heisenberg model on the honeycomb lattice, in presence of first-neighbor ($J_1$) and second-neighbor ($J_2$) couplings, for ${J_2 < 0.5 J_1}$. The ground state of the system shows long-range antiferromagnetic order for ${J_2/J_1 \lesssim 0.23}$, plaquette valence-bond order for ${0.23 \lesssim J_2/J_1 \lesssim 0.36}$, and columnar dimer order for ${J_2/J_1 \gtrsim 0.36}$. Within the antiferromagnetic state, a well-defined …
Spin-$1/2$ chains with alternating antiferromagnetic and ferromagnetic couplings have attracted considerable interest due to the topological character of their spin excitations. Here, using density functional theory and density matrix renormalization group methods, we have systematically studied the dimerized chain system Na$_2$Cu$_2$TeO$_6$. Near the Fermi level, the dominant states are mainly contributed by the Cu $3d_{x^2-y^2}$ orbitals highly hybridized with the O $2p$ orbitals in the nonmagnetic phase, leading to an "effective" single-orbital low-energy model. Furthermore, the bandwidth o…
Motivated by the absence of both spin freezing and a cooperative Jahn-Teller effect at the lowest measured temperatures, we study the ground state of Ba3CuSb2O9. We solve a general spin-orbital model on both the honeycomb and the decorated honeycomb lattice, revealing rich phase diagrams. The spin-orbital model on the honeycomb lattice contains an SU(4) point, where previous studies have shown the existence of a spin-orbital liquid with algebraically decaying correlations. For realistic parameters on the decorated honeycomb lattice, we find a phase that consists of clusters of nearest-neighbou…
We map certain highly correlated electron systems on lattices with geometrical frustration in the motion of added particles or holes to the spatial defect-defect correlations of dimer models in different geometries. These models are studied analytically and numerically. We consider different coverings for four different lattices: square, honeycomb, triangular, and diamond. In the case of hard-core dimer covering, we verify the existed results for the square and triangular lattice and obtain new ones for the honeycomb and the diamond lattices while in the case of loop covering we obtain new num…
We have investigated the thermodynamic and local magnetic properties of the Mott insulating system Ag$_{3}$LiRu$_{2}$O$_{6}$ containing Ru$^{4+}$ (4$d$$^{4}$) for novel magnetism. The material crystallizes in a monoclinic $C2/m$ structure with RuO$_{6}$ octahedra forming an edge-shared two-dimensional honeycomb lattice with limited stacking order along the $c$-direction. The large negative Curie-Weiss temperature ($θ_{CW}$ = -57 K) suggests antiferromagnetic interactions among Ru$^{4+}$ ions though magnetic susceptibility and heat capacity show no indication of magnetic long-range order down t…
