The effect of a magnetic field on a gapped quantum magnet is described within the framework of the Quantum Dimer Model. A minimal model describing the proliferation of itinerant spinons above a critical field is proposed and investigated by Lanczos exact diagonalizations and quantum Monte Carlo simulations. For both square and triangular lattices, it is shown that spinons are fully polarized and Bose-condense. This offers a novel scenario of a Quantum Critical Point in the dimer-liquid phase (triangular lattice) characterized by the continuous appearance of a spinon superfluid density, contrasting with the usual triplet condensation picture. The possible role of other spinon kinetic terms neglected in the model are discussed.
Neutron diffraction, magnetization, resistivity, and heat capacity measurements on the 6H-perovskite Ba3BiRu2O9 reveal simultaneous magnetic and structural dimerization driven by strong magnetoelastic coupling. An isostructural but strongly displacive first-order transition on cooling through T*=176 K is associated with a change in the nature of direct Ru-Ru bonds within Ru2O9 face-sharing octahedra. Above T*, Ba3BiRu2O9 is an S=1 magnetic dimer system with intradimer exchange interactions J0/kB=320 K and interdimer exchange interactions J'/kB=-160 K. Below T*, a spin-gapped state emerges with…
In2VO5, containing magnetically frustrated zig-zag chains, shows a remarkable magnetic crossover at 120 K between paramagnetic states with positive (17 K) and negative (-70 K) Weiss temperatures. Magnetic moment and entropy data show that the V4+ S = 1/2 spins condense into S = 1 triplet dimers below the crossover. A further freezing of the antiferromagnetically coupled triplet dimers into a global singlet state is observed at 2.5 K, with no long range magnetic order down to 0.42 K and in fields up to 9 T. No structural V-V dimerization is observed by high-resolution X-ray diffraction down to …
We study a generalized Shastry-Sutherland model for the material SrCu$_2$(BO$_3$)$_2$. Along a line in the parameter space, we can show rigorously that the model has a first order phase transition between Dimerized and Néel-ordered ground states. Furthermore, when a magnetic field is applied in the Dimerized phase, magnetization plateaus develop at commensurate values of the magnetization. We also discuss various aspects of the phase diagram and properties of this model away from this exactly soluble line, which include gap-closing continuous transitions between Dimerized and magnetically orde…
Cu$_2$Fe$_2$Ge$_4$O$_{13}$ is a bicomponent compound that consists of Cu dimers and Fe chains with separate energy scale. By inelastic neutron scattering technique with high-energy resolution we observed the indirect Fe - Fe exchange coupling by way of the Cu dimers. The obtained parameters of the effective indirect interaction and related superexchange interactions are consistent with those estimated semi-statically. The consistency reveals that the Cu dimers play the role of nonmagnetic media in the indirect magnetic interaction.
We investigate the interplay of Dzyaloshinskii-Moriya interactions and an external field in spin 1/2 dimers. For isolated dimers and at low field, we derive simple expressions for the staggered and uniform magnetizations which show that the orientation of the uniform magnetization can deviate significantly from that of the external field. In fact, in the limit where the ${\bf D}$ vector of the Dzyaloshinskii-Moriya interaction is parallel to the external field, the uniform magnetization actually becomes {\it perpendicular} to the field. For larger fields, we show that the staggered magnetizati…
Magnetic susceptibility and microscopic magnetic model of the mineral clinoclase Cu3(AsO4)(OH)3 are reported. This material can be well described as a combination of two nonequivalent spin dimers with the sizable magnetic couplings of J about 700 K and J(D2) about 300 K. Based on density functional theory calculations, we pinpoint the location of dimers in the crystal structure. Surprisingly, the largest coupling operates between the structural Cu2O6 dimers. We investigate magnetostructural correlations in Cu2O6 structural dimers, by considering the influence of the hydrogen position on the ma…
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 …
We investigated the magnetic properties of the system CuTe2O5 by susceptibility and electron spin resonance measurements. The anisotropy of the effective g-factors and the ESR linewidth indicates that the anticipated structural dimer does not correspond to the singlet-forming magnetic dimer. Moreover, the spin susceptibility of CuTe2O5 can only be described by taking into account interdimer interactions of the same order of magnitude than the intradimer coupling. Analyzing the exchange couplings in the system we identify the strongest magnetic coupling between two Cu ions to be mediated by sup…
Magnetic excitations of the effective spin $S$=1/2 dimerized magnet Ba$_2$CoSi$_2$O$_6$Cl$_2$ have been probed directly via inelastic neutron scattering experiments at temperatures down to 4 K. We observed five types of excitation at 4.8, 5.8, 6.6, 11.4, and 14.0 meV, which are all dispersionless within the resolution limits. The scattering intensities of the three low-lying excitations were found to exhibit different $Q$-dependences. Detailed analysis has demonstrated that Ba$_2$CoSi$_2$O$_6$Cl$_2$ is a two-dimensional spin dimer system described only by a single dimer site, where the triplet…
In this work we investigate Ising and classical Heisenberg models for two and three dimensional lattices in presence of diluted ferromagnetic dimers. For such models the Curie temperature as a function of ratio of intra-dimer exchange coupling constant I_A and other inter-site coupling constants I_B is calculated. In case dimer is treated exactly and environment within the mean-field approach it was found that even for I_A/I_B\to\infty T_C remains finite. Similar analysis is proposed for rhombohedral phase of intermetallic compound Gd2Fe17 where so-called Fe1-Fe1 "dumbbell" forms the diluted f…
Recently measured high-field ESR spectra of the spin dimer material TlCuCl3 are described within the framework of an effective field theory. A good agreement between the theory and experiment is achieved, for all geometries and in a wide field range, under the assumption of a weak anisotropy of the interdimer as well as intradimer exchange interaction.
Magnetic bound states are a general phenomenon in low dimensional antiferromagnets with gapped singlet states. Using Raman scattering on three compounds as dedicated examples we show how exchange topology, dimensionality, defects and thermal fluctuations influence the properties and the spectral weight of these states.
For coupled-dimer magnets with quenched disorder, we introduce a generalization of the bond-operator method, appropriate to describe both singlet and magnetically ordered phases. This allows for a numerical calculation of the magnetic excitations at all energies across the phase diagram, including the strongly inhomogeneous Griffiths regime near quantum criticality. We apply the method to the bilayer Heisenberg model with bond randomness and characterize both the broadening of excitations and the transfer of spectral weight induced by disorder. Inside the antiferromagnetic phase this model fea…
We determined the crystal structure of Ba$_2$CoSi$_2$O$_6$Cl$_2$, which was synthesized in this work, and investigated its quantum magnetic properties using single crystals. This compound should be described as a two-dimensionally coupled spin-1/2 XY-like spin dimer system. Ba$_2$CoSi$_2$O$_6$Cl$_2$ exhibits a stepwise magnetization process with a plateau at half of the saturation magnetization, irrespective of the field direction, although all the Co$^{2+}$ sites are equivalent. This indicates that spin triplets are localized owing to the almost perfect frustration of interdimer exchange inte…
Quantum entanglement effects between the electronic spin and charge degrees of freedom are examined in an organic molecular solid, termed a dimer-Mott insulating system, in which molecular dimers are arranged in a crystal as fundamental units. A low energy effective model includes an antisymmetric exchange interaction, as one of the dominant magnetic interactions. This interaction favors a 90 degree spin configuration, and competes with the Heisenberg-type exchange interaction. Stabilities of the magnetic ordered phases are examined by using the spin-wave theory, as well as the Schwinger-boson…
The dynamical spin structure factor and the Raman response are calculated for structurally dimerized and spin-Peierls chains in a magnetic field, using exact diagonalization techniques. In both cases there is a spin liquid phase composed of interacting singlet dimers at small fields h < h_c1, an incommensurate regime (h_c1 < h < h_c2) in which the modulation of the triplet excitation spectra adapts to the applied field, and a fully spin polarized phase above an upper critical field h_c2. For structurally dimerized chains, the spin gap closes in the incommensurate phase, whereas spin-Peierls ch…
We study the critical properties in cubic systems of antiferromagnetically coupled spin dimers near magnetic-field induced quantum phase transitions. The quantum critical points in the zero-temperature phase diagrams are determined from quantum Monte Carlo simulations. Furthermore, scaling properties of the uniform magnetization and the staggered transverse magnetization across the quantum phase transition in magnetic fields are calculated. The critical exponents are derived from Ginzburg-Landau theory. We find excellent agreement between the quantum Monte Carlo simulations and the analytical …
An analytical expression for the transfer integral HAB between the localized magnetic orbitals in superexchange-coupled dimers as a function of the type of atoms and geometry of the molecule has been derived by explicitly including orbital interactions. It is shown that HAB plays the key role for the magnetic coupling constant J in understanding magneto-structural correlations. The reliability and capability of this approach is confirmed by comparison with numerical electronic structure calculations in the local spin-density approximation on singly and doubly bridged Cu(II)-dimers with fluorin…
Magnetic excitations in a weakly coupled spin dimers and chains compound Cu2Fe2Ge4O13 are measured by inelastic neutron scattering. Both structure factors and dispersion of low energy excitations up to 10 meV energy transfer are well described by a semiclassical spin wave theory involving interacting Fe$^{3+}$ ($S = 5/2$) chains. Additional dispersionless excitations are observed at higher energies, at $\hbar ω= 24$ meV, and associated with singlet-triplet transitions within Cu$^{2+}$-dimers. Both types of excitations can be understood by treating weak interactions between the Cu$^{2+}$ and Fe…
We present a comprehensive experimental investigation of Yb magnetic dimers in Yb$_{0.04}$Y$_{0.96}$AlO$_3$, an Yb-doped Yttrium Aluminum Perovskite (YAP) YAlO$_3$ by means of specific heat, magnetization and high-resolution inelastic neutron scattering (INS) measurements. In our sample, the Yb ions are randomly distributed over the lattice and $\sim 7$\% of Yb ions form quantum dimers due to nearest-neighbor antiferromagnetic coupling along the $c$-axis. At zero field, the dimer formation manifests itself in an appearance of an inelastic peak at $Δ\approx 0.2$~meV in the INS spectrum and a Sc…
By using bulk magnetization, electron spin resonance (ESR), heat capacity, and neutron scattering techniques, we characterize the thermodynamic and quantum phase diagrams of Ba$_3$Cr$_2$O$_8$. Our ESR measurements indicate that the low field paramagnetic ground state is a mixed state of the singlet and the S$_z$ = 0 triplet for $H \perp c$. This suggests the presence of an intra-dimer Dzyaloshinsky-Moriya (DM) interaction with a DM vector perpendicular to the c-axis.
We synthesize homogeneous compositions of NaLu$_x$Yb$_{1-x}$Se$_2$, connecting non-magnetic NaLuSe$_2$ to the triangular lattice spin liquid candidate NaYbSe$_2$. Thermal and magnetic properties are studied as the system evolves from one with dilute magnetic defects to one of a dense magnetic lattice. The field and temperature dependent heat capacity show the carriers of entropy crossover from isolated magnetic ions to a correlated lattice borne from spin dimers. For the dilute system we estimate the single ion anisotropy $(g_\perp/g_\parallel =3.13)$ and also the dimer exchange couplings $J_\…
Raman scattering studies of the frustrated spin chain system LiCu$_{2}$O$_{2}$ are reported. Two transitions into a magnetically ordered phase (taken place at temperatures $\sim$ 9 K and $\sim$ 24 K) have been confirmed from the analysis of optical properties of the samples. Interestingly, two different magnetic excitations, seen at 100 and 110 cm$^{-1}$ in the magnetically ordered phase superimpose each other independently, indicating a coherent coexistence of long-range magnetic order and dimerization. The observed phenomenon is attributed to magnetostructural peculiarities of LiCu$_{2}$O$_{…
From general arguments, that are valid for spin models with sufficiently short-range interactions, we derive strong constraints on the excitation spectrum across a continuous phase transition at zero temperature between a magnetic and a dimerized phase, that breaks the translational symmetry. From the different symmetries of the two phases, it is possible to predict, at the quantum critical point, a branch of gapless excitations, not described by standard semi-classical approaches. By using these arguments, supported by intensive numerical calculations, we obtain a rather convincing evidence i…
We extend to magnetically ordered phases a recently developed expansion in 1/d for coupled-dimer Heisenberg magnets, where d is the number of space dimensions. This extension utilizes generalized bond operators describing spin excitations on top of a reference state involving triplet condensates. We explicitly consider a model of dimers on a hypercubic lattice which displays, in addition to the paramagnetic singlet phase, a collinear antiferromagnetic phase for which we calculate static and dynamic observables at zero temperature. In particular, we show that the 1/d expansion smoothly connects…
Bose-Einstein condensation (BEC) of triplet excitations triggered by a magnetic field, sometimes called magnon BEC, in dimerized antiferromagnets gives rise to a long-range antiferromagnetic order in the plane perpendicular to the applied magnetic field. To explore the effects of spin-orbit coupling on magnon condensation, we study a spin model on a distorted honeycomb lattice with dimerized Heisenberg exchange ($J$ terms) and uniform off-diagonal exchange ($Γ'$ terms) interactions. Via variational Monte Carlo calculations and spin-wave theory, we find that an out-of-plane magnetic field can i…
In this work, we investigate the evolution and settling of magnon condensation in the spin-1/2 dimer system Sr$_{3}$Cr$_{2}$O$_{8}$ using a combination of magnetostriction in pulsed fields and inelastic neutron scattering in a continuous magnetic field. The magnetic structure in the Bose-Einstein condensation (BEC) phase was probed by neutron diffraction in pulsed magnetic fields up to 39~T. The magnetic structure in this phase was confirmed to be an XY-antiferromagnetic structure validated by irreducible representational analysis. The magnetic phase diagram as a function of an applied magneti…
We measured magnetization, specific heat, electron spin resonance, neutron diffraction, and inelastic neutron scattering of CrVMoO$_7$ powder. An antiferromagnetically ordered state appears below $T_{\rm N} = 26.5 \pm 0.8$ K. We consider that the probable spin model for CrVMoO$_7$ is an interacting antiferromagnetic spin-$\frac{3}{2}$ dimer model. We evaluated the intradimer interaction $J$ to be $25 \pm 1$ K and the effective interdimer interaction $J_{\rm eff}$ to be $8.8 \pm 1$ K. CrVMoO$_7$ is a rare spin dimer compound that shows an antiferromagnetically ordered state at atmospheric press…
We investigate quantum phase transitions in the frustrated orthogonal-dimer chain with an arbitrary spin $S \geq 1/2$. When the ratio of the competing exchange couplings is varied, first-order phase transitions occur 2S times among distinct spin-gap phases. The introduction of single-ion anisotropy further enriches the phase diagram. The phase transitions described by the present model possess most of the essential properties inherent in frustrated quantum spin systems.
We examine the magnetic field dependent excitations of the dimerized spin-1/2 chain, copper nitrate, with antiferromagnetic intra-dimer exchange $J_1=0.44$ meV and exchange alternation $α=J_2/J_1=0.24$. Magnetic excitations in three distinct regimes of magnetization are probed through inelastic neutron scattering at low temperatures. At low and high fields there are three and two long-lived magnon-like modes, respectively. The number of modes and the anti-phase relationship between the wave-vector dependent energy and intensity of magnon scattering reflect the distinct ground states: A singlet…
We have synthesized and studied single-crystal Ba5AlIr2O11 that features dimer chains of two inequivalent octahedra occupied by tetravalent and pentavalent ions, respectively. Ba5AlIr2O11 is a Mott insulator that undergoes a subtle structural phase transition near 210 K and a magnetic transition at 4.5 K; the latter transition is surprisingly resistant to applied magnetic fields up to 12 T, but sensitive to modest applied pressure. All results indicate that the phase transition at 210 K signals an enhanced charge order that induces electrical dipoles and strong dielectric response near 210 K. …
A combined theoretical and experimental study of the natural Cu(2+)-mineral callaghanite is presented. Its crystal structure features well separated Cu$_2$(OH)$_6$ structural dimers with weakly bonded carbonate groups and water molecules in between. Susceptibility, field-dependent magnetization and specific heat measurements reveal a compound with a small spin gap of about 7 K. The observed magnetic properties are well described by a model of isolated antiferromagnetic spin dimers. Possible ferromagnetic interactions between the dimers amount to -1.5 K, at most. Different flavors of electronic…
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…
Dimerized quantum magnets provide a unique possibility to investigate Bose-Einstein condensation of magnetic excitations in crystalline systems at low temperature. Here, we model the low-temperature magnetic properties of the recently synthesized spin $S=1$ dimer system K${}_2$Ni(MoO${}_4$)$_2$ and propose it as a new candidate material for triplon and quintuplon condensation. Based on a first principles analysis of its electronic structure, we derive an effective spin-dimer model that we first solve within a mean-field approximation to refine its parameters in comparison to experiment. Finall…
We introduce a novel extension of the Gutzwiller variational wavefunction able to deal with insulators that escape any mean-field like description, as for instance non-magnetic insulators. As an application, we study the Mott transition from a paramagnetic metal into a non-magnetic Peierls, or valence-bond, Mott insulator. We analyze this model by means of our Gutzwiller wavefunction analytically in the limit of large coordination lattices, where we find that: (1) the Mott transition is first order; (2) the Peierls gap is large in the Mott insulator, although it is mainly contributed by the el…
The doping of quantum Heisenberg antiferromagnets on the kagome lattice by non-magnetic impurities is investigated within the framework of a generalized quantum dimer model (QDM) describing a) the valence bond crystal (VBC), b) the dimer liquid and c) the critical region on equal footing. Following the approach by Ralko et al. [Phys. Rev. Lett. 101, 117204 (2008)] for the square and triangular lattices, we introduce the (minimal) extension of the QDM on the Kagome lattice to account for spontaneous creation of mobile S=1/2 spinons at finite magnetic field. Modulations of the dimer density (at …
We have investigated the dilute magnetic impurity effect on the magnetic properties of a quantum spin liquid candidate Ba3ZnRu2O9 and a spin gapped compound Ba3CaRu2O9. The magnetic ground state of each compound stands against 2% substitution of magnetic impurities for Zn or Ca. We have found that the magnetic response of these impurities, which behave as paramagnetic spins, depends on the host materials and the difference of the two manifests itself in the Weiss temperature, which can hardly be explained by the dilute magnetic impurities alone in the case of Ba3ZnRu2O9. We consider a contribu…
We report the exact dimer phase, in which the ground states are described by product of singlet dimer, in the extended XYZ model by generalizing the isotropic Majumdar-Ghosh model to the fully anisotropic region. We demonstrate that this phase can be realized even in models when antiferromagnetic interaction along one of the three directions. This model also supports three different ferromagnetic (FM) phases, denoted as $x$-FM, $y$-FM and $z$-FM, polarized along the three directions. The boundaries between the exact dimer phase and FM phases are infinite-fold degenerate. The breaking of this i…
The quantum spin-1/2 orthogonal-dimer chain with the Heisenberg intra-dimer and Ising inter-dimer interactions in a magnetic field is considered by a rigorous approach. The model conserves the z-component of total spin on vertical Heisenberg bonds and this property is used to calculate exactly the partition function using the transfer-matrix method. We have found the ground-state phase diagram of the given model in a magnetic field as well as the macroscopic degeneracy along field-induced transitions accompanied with the magnetization jumps. The model exhibits two intermediate fractional plate…
We study the frustrated dimer-plaquette quantum spin chain for ferromagnetic dimer bonds. This quantum system undergoes a series of first-order ground-state phase transitions driven by frustration or by a magnetic field. We find that the different nature of the ground-state phases has a strong influence on the magnetization curve as well as the low-temperature thermodynamics. In particular, the magnetization curve exhibits plateaus and jumps, the number of which depends on the strength of frustration. The temperature dependence of the susceptibility may either show activated spin-gap behaviour…
Sr$_{3}$Cr$_{2}$O$_{8}$ consist of a lattice of spin-1/2 Cr$^{5+}$ ions, which form hexagonal bilayers and which are paired into dimers by the dominant antiferromagnetic intrabilayer coupling. The dimers are coupled three-dimensionally by frustrated interdimer interactions. A structural distortion from hexagonal to monoclinic leads to orbital order and lifts the frustration giving rise to spatially anisotropic exchange interactions. We have grown large single crystals of Sr$_{3}$Cr$_{2}$O$_{8}$ and have performed DC susceptibility, high field magnetisation and inelastic neutron scattering meas…
We report the synthesis and initial characterization of Ba6Y2Rh2Ti2O17-δ, a previously unreported material with a hexagonal symmetry structure. Face-sharing RhO6 octahedra form triangular planes of Rh2O9 dimers that are widely separated in the perpendicular direction. The material displays a small effective magnetic moment, due to the Rh ions present, and a negative Curie-Weiss temperature. The charge transport and optical band gaps are very similar, near 0.16 eV. A large upturn in the heat capacity at temperatures below 1 K, suppressed by applied magnetic fields larger than {μ0H = 2 Tesla, is…
We present high-resolution measurements of the thermal expansion and the magnetostriction of TlCuCl$_{3}$ which shows field-induced antiferromagnetic order. We find pronounced anomalies in the field and temperature dependence of different directions of the lattice signaling a large magnetoelastic coupling. The phase boundary is extremely sensitive to pressure, e.g. the transition field would change by about +/- 185$%/GPa under uniaxial pressure applied along certain directions. This drastic effect can unambiguously be traced back to changes of the intradimer coupling under uniaxial pressure. T…
The celebrated Shastry Sutherland model has a gapped dimer singlet ground state. The material SrCu$_2$(BO$_3$)$_2$ serves as a good realization of this model, upto small anisotropies arising from Dzyaloshinskii-Moriya (DM) interactions. The DM interactions admix a triplet component into the singlet ground state and give rise to weakly dispersing triplon bands. We show that an applied magnetic field splits the triplon modes and opens band gaps. Surprisingly, we are left with topological bands with Chern numbers $\pm 2$. SrCu$_2$(BO$_3$)$_2$ thus supports topologically protected triplonic edge m…
We re-examine the thermodynamic properties of the coupled dimer system Cu$_2$(C$_5$H$_{12}$N$_2$)$_2$Cl$_4$ under magnetic field in the light of recent NMR experiments [Clémancey {\it et al.}, Phys. Rev. Lett. {\bf 97}, 167204 (2006)] suggesting the existence of a finite Dzyaloshinskii-Moriya interaction. We show that including such a spin anisotropy greatly improves the fit of the magnetization curve and gives the correct trend of the insofar unexplained anomalous behavior of the specific heat in magnetic field at low temperature.
For coupled-dimer Heisenberg magnets, a paradigm of magnetic quantum phase transitions, we develop a systematic expansion in 1/d, the inverse number of space dimensions. The expansion employs a formulation of the bond-operator technique and is based on the observation that a suitably chosen product-state wavefunction yields exact zero-temperature expectation values of local observables in the d->infty limit, with corrections vanishing as 1/d. We demonstrate the approach for a model of dimers on a hypercubic lattice, which generalizes the square-lattice bilayer Heisenberg model to arbitrary d. …
We synthesized single crystals of composition Ba$_2$CuSi$_2$O$_6$Cl$_2$ and investigated its quantum magnetic properties. The crystal structure is closely related to that of the quasi-two-dimensional (2D) dimerized magnet BaCuSi$_2$O$_6$ also known as Han purple. Ba$_2$CuSi$_2$O$_6$Cl$_2$ has a singlet ground state with an excitation gap of $Δ/k_{\rm B}\,{=}\,20.8$ K. The magnetization curves for two different field directions almost perfectly coincide when normalized by the $g$-factor except for a small jump anomaly for a magnetic field perpendicular to the $c$ axis. The magnetization curve w…
Despite the experimental successes of Scanning Tunneling Microscopy (STM) and the interest in more complex magnetic nanostructures, our present understanding and theoretical description of STM spectra of magnetic adatoms is mainly phenomenological and most often ignores many-body effects. Here, we propose a theory which includes a microscopic description of the wave functions of the substrate and magnetic adatoms together with quantum many-body effects. To test our theory, we have computed the STM spectra of magnetic Cobalt monomers and dimers adsorbed on metallic Copper surfaces and succesful…
We report the study on the low-temperature heat transport of Ba_3Mn_2O_8 single crystal, a layered spin-dimer compound exhibiting the magnetic-field-induced magnetic order or the magnon Bose-Einstein condensation. The thermal conductivities (κ) along both the ab plane and the c axis show nearly isotropic dependence on magnetic field, that is, κis strongly suppressed with increasing field, particularly at the critical fields of magnetic phase transitions. These results indicate that the magnetic excitations play a role of scattering phonons and the scattering effect is enhanced when the magneti…
We present the magnetic and thermal properties of the bosonic-superfluid phase in a spin-dimer network using both quasistatic and rapidly-changing pulsed magnetic fields. The entropy derived from a heat-capacity study reveals that the pulsed-field measurements are strongly adiabatic in nature and are responsible for the onset of a significant magnetocaloric effect (MCE). In contrast to previous predictions we show that the MCE is not just confined to the critical regions, but occurs for all fields greater than zero at sufficiently low temperatures. We explain the MCE using a model of the therm…
Quantum dimer models typically arise in various low energy theories like those of frustrated antiferromagnets. We introduce a quantum dimer model on the kagome lattice which stabilizes an alternative $\mathbb{Z}_2$ topological order, namely the so-called "double semion" order. For a particular set of parameters, the model is exactly solvable, allowing us to access the ground state as well as the excited states. We show that the double semion phase is stable over a wide range of parameters using numerical exact diagonalization. Furthermore, we propose a simple microscopic spin Hamiltonian for w…
Magnetization and high-resolution x-ray diffraction measurements of the Kitaev-Heisenberg material alpha-RuCl3 reveal a pressure-induced crystallographic and magnetic phase transition at a hydrostatic pressure of p=0.2 GPa. This structural transition into a triclinic phase is characterized by a very strong dimerization of the Ru-Ru bonds, accompanied by a collapse of the magnetic susceptibility. Ab initio quantum-chemistry calculations disclose a pressure-induced enhancement of the direct 4d-4d bonding on particular Ru-Ru links, causing a sharp increase of the antiferromagnetic exchange intera…
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…
