Neighbor Antiferromagnetic Interactions Research Articles

Phase diagram and ground state of the decorated Ising model on a triangular lattice with first neighbor antiferromagnetic and second neighbor ferromagnetic interactions

Phase diagram and ground state of the decorated Ising model on a triangular lattice with first neighbor antiferromagnetic and second neighbor ferromagnetic interactions

Magnetic frustration and fractionalization in oligo(indenoindenes)

Poly(indenoindenes) are {\pi}-conjugated ladder carbon polymers with alternating hexagons and pentagons hosting one unpaired electron for each five-membered ring in the open-shell limit. Here we study the main magnetic interactions that are present in finite oligo(indenoindenes) (OInIn), classifying the six possible isomers in two different classes of three isomers each. One class can be rationalized by frustrated S = 1/2 Heisenberg chains, with ferromagnetic interactions between neighbour sites and antiferromagnetic interactions between the next neighbours. The other class is characterized by the more trivial antiferromagnetic order. Employing several levels of theory we further show that the ground state of one of the isomers is a valence-bond solid (VBS) of ferromagnetic dimers (S = 1). This is topologically similar to that of the Affleck-Kennedy-Lieb-Tasaki (AKLT) model, which is known to show fractional S = 1/2 states at the edges.

Theoretical study on the magnetic properties of cathode materials in the lithium-ion battery.

The layered LiMO2 (M = Co, Ni, and Mn) materials are commonly used as the cathode materials in the lithium-ion battery due to the distinctive layer structure for lithium extraction and insertion. Although their electrochemical properties have been extensively studied, the structural and magnetic properties of LiNiO2 are still under considerable debate, and the magnetic properties of monoclinic LiMnO2 are seldom reported. In this work, a detailed study of LiNiO2, LiMnO2, and a half-doped material LiNi0.5Mn0.5O2 is performed via both first-principles calculations and Monte Carlo simulations based on the effective spin Hamiltonian model. Through considering different structures, it is verified that a structure with a zigzag-type pattern is the most stable one of LiNiO2. Moreover, in order to figure out the magnetic properties, the spin exchange interactions are calculated, and then magnetic ground states are predicted in these three systems. The results show that LiNiO2 forms a spiral order that is caused by the competition from both the short-range and long-range spin exchange interactions, whereas the magnetic ground state of LiMnO2 is collinearly antiferromagnetic due to its nearest and next-nearest neighbor antiferromagnetic spin exchange interactions. However, LiNi0.5Mn0.5O2 is collinearly ferrimagnetic because of the ferromagnetic nearest neighbor Ni-Ni and Mn-Mn exchange interactions. Our work demonstrates the competition between the different exchange interactions in these cathode materials, which may be relevant to the performance of the lithium-ion battery.

Anisotropic deconfined criticality in Dirac spin liquids

We analyze a Higgs transition from a U(1) Dirac spin liquid to a gapless ℤ2 spin liquid. This ℤ2 spin liquid is of relevance to the spin S = 1/2 square lattice antiferromagnet, where recent numerical studies have given evidence for such a phase existing in the regime of high frustration between nearest neighbor and next-nearest neighbor antiferromagnetic interactions (the J1-J2 model), appearing in a parameter regime between the vanishing of Néel order and the onset of valence bond solid ordering. The proximate Dirac spin liquid is unstable to monopole proliferation on the square lattice, ultimately leading to Néel or valence bond solid ordering. As such, we conjecture that this Higgs transition describes the critical theory separating the gapless ℤ2 spin liquid of the J1-J2 model from one of the two proximate ordered phases. The transition into the other ordered phase can be described in a unified manner via a transition into an unstable SU(2) spin liquid, which we have analyzed in prior work. By studying the deconfined critical theory separating the U(1) Dirac spin liquid from the gapless ℤ2 spin liquid in a 1/Nf expansion, with Nf proportional to the number of fermions, we find a stable fixed point with an anisotropic spinon dispersion and a dynamical critical exponent z ≠ 1. We analyze the consequences of this anisotropic dispersion by calculating the angular profiles of the equal-time Néel and valence bond solid correlation functions, and we find them to be distinct. We also note the influence of the anisotropy on the scaling dimension of monopoles.

Dynamical Signatures of Quasiparticle Interactions in Quantum Spin Chains.

We study the transverse dynamical susceptibility of an antiferromagnetic spin-1/2 chain in the presence of a longitudinal Zeeman field. In the low magnetization regime in the gapless phase, we show that the marginally irrelevant backscattering interaction between the spinons creates a nonzero gap between two branches of excitations at small momentum. We further demonstrate how this gap varies upon introducing a second neighbor antiferromagnetic interaction, vanishing in the limit of a noninteracting "spinon gas." In the high magnetization regime, as the Zeeman field approaches the saturation value, we uncover the appearance of two-magnon bound states in the transverse susceptibility. This bound state feature generalizes the one arising from string states in the Bethe ansatz solution of the integrable case. Our results are based on numerically accurate, unbiased matrix-product-state techniques as well as analytic approximations.

Unconventional high temperature superconductivity in cubic zinc-blende transition metal compounds

We consider possible high temperature superconductivity (high-T$_c$) in transition metal compounds with a cubic zinc-blende lattice structure. When the electron filling configuration in the d-shell is close to d$^7$, all three t$_{2g}$ orbitals are near half filling with strong nearest neighbor antiferromagnetic (AFM) superexchange interactions. We argue that upon doping, this electronic environment can be one of "genes" to host unconventional high T$_c$ with a time reversal symmetry broken $d_{2z^2-x^2-y^2} \pm i d_{x^2-y^2}$ pairing symmetry. With gappless nodal points along the diagonal directions, this state is a direct three dimensional analogue to the two dimensional $B_{1g}$ d-wave state in cuprates. We suggest that such a case may be realized in electron doped CoN, such as CoN$_{1-x}$O$_x$ and (H, Li)$_{1-x}$CoN.

Magnetic structure and spin waves in the frustrated ferro-antiferromagnet Pb2VO(PO4)2.

Single crystal neutron diffraction, inelastic neutron scattering, and electron spin resonance experiments are used to study the magnetic structure and spin waves in Pb2VO(PO4)2, a prototypical layered S = 1/2 ferromagnet with frustrating next-nearest neighbor antiferromagnetic interactions. The observed excitation spectrum is found to be inconsistent with a simple square lattice model previously proposed for this material. At least four distinct exchange coupling constants are required to reproduce the measured spin wave dispersion. The degree of magnetic frustration is correspondingly revised and found to be substantially smaller than in all previous estimates.

Field-induced States and Excitations in the Quasicritical Spin-1/2 Chain Linarite.

The mineral linarite, PbCuSO_{4}(OH)_{2}, is a spin-1/2 chain with frustrating nearest-neighbor ferromagnetic and next-nearest-neighbor antiferromagnetic exchange interactions. Our inelastic neutron scattering experiments performed above the saturation field establish that the ratio between these exchanges is such that linarite is extremely close to the quantum critical point between spin-multipolar phases and the ferromagnetic state. We show that the predicted quantum multipolar phases are fragile and actually suppressed by a tiny orthorhombic exchange anisotropy and weak interchain interactions in favor of a dipolar fan phase. Including this anisotropy in classical simulations of a nearly critical model explains the field-dependent phase sequence of the phase diagram of linarite, its strong dependence of the magnetic field direction, and the measured variations of the wave vector as well as the staggered and the uniform magnetizations in an applied field.

Tuning the antiferromagnetic helical pitch length and nanoscale domain size in Fe3PO4O3 by magnetic dilution

The insulating magnetic material Fe3PO4O3 features a non-centrosymmetric lattice composed of Fe^{3+} triangular units. Frustration, due to competing near neighbor ($J_1$) and next nearest neighbor ($J_2$) antiferromagnetic interactions, was recently suggested to be the origin of an antiferromagnetic helical ground state with unusual needle-like nanoscale magnetic domains in Fe3PO4O3. Magnetic dilution is shown here to tune the ratio of these magnetic interactions, thus providing deeper insight into this unconventional antiferromagnet. Dilution of the Fe^{3+} lattice in Fe3PO4O3 was accomplished by substituting non-magnetic Ga^{3+} to form the solid solution series Fe_{3-x}Ga_xPO4O3 with $x = 0.012, 0.06, 0.25, 0.5, 1.0, 1.5$. Magnetic susceptibility and neutron powder diffraction data from this series are presented. A continuous decrease of the both the helical pitch length and the domain size is observed with increasing dilution up to at least $x = 0.25$, while for $x \ge 0.5$, the compounds lack long range magnetic order entirely. The decrease in the helical pitch length with increasing $x$ can be qualitatively understood by reduction of the ratio of $J_2/J_1$ in the Heisenberg model, consistent with mean field considerations. Intriguingly, the magnetic correlation length in the $ab$ plane remains nearly equal to the pitch length for each value of $x \le 0.25$, showing that the two quantities are intrinsically connected in this unusual antiferromagnet.

Triplon mean-field analysis of an antiferromagnet with degenerate Shastry–Sutherland ground states

We look into the quantum phase diagram of a spin- antiferromagnet on the square lattice with degenerate Shastry–Sutherland ground states, for which only a schematic phase diagram is known so far. Many exotic phases were proposed in the schematic phase diagram by the use of exact diagonalization on very small system sizes. In our present work, an important extension of this antiferromagnet is introduced and investigated in the thermodynamic limit using triplon mean-field theory. Remarkably, this antiferromagnet shows a stable plaquette spin-gapped phase like the original Shastry–Sutherland antiferromagnet, although both of these antiferromagnets differ in the Hamiltonian construction and ground state degeneracy. We propose a sublattice columnar dimer phase which is stabilized by the second and third neighbor antiferromagnetic Heisenberg exchange interactions. There are also some commensurate and incommensurate magnetically ordered phases, and other spin-gapped phases which find their places in the quantum phase diagram. Mean-field results suggest that there is always a level-crossing phase transition between two spin-gapped phases, whereas in other situations, either a level-crossing or a continuous phase transition happens.

Schwinger-boson mean-field study of the J1−J2 Heisenberg quantum antiferromagnet on the triangular lattice

We use Schwinger boson mean field theory (SBMFT) to study the ground state of the spin-$S$ triangular-lattice Heisenberg model with nearest ($J_1$) and next-nearest ($J_2$) neighbor antiferromagnetic interactions. Previous work on the $S=1/2$ model leads us to consider two spin liquid Ans\"{a}tze, one symmetric and one nematic, which upon spinon condensation give magnetically ordered states with 120$^{\circ}$ order and collinear stripe order, respectively. The SBMFT contains the parameter $\kappa$, the expectation value of the number of bosons per site, which in the exact theory equals $2S$. For $\kappa=1$ there is a direct, first-order transition between the ordered states as $J_2/J_1$ increases. Motivated by arguments that in SBMFT, smaller $\kappa$ may be more appropriate for describing the $S=1/2$ case qualitatively, we find that in a $\kappa$ window around 0.6, a region with the (gapped $Z_2$) symmetric spin liquid opens up between the ordered states. As a consequence, the static structure factor has the same peak locations in the spin liquid as in the 120$^{\circ}$ ordered state, and the phase transitions into the 120$^{\circ}$ and collinear stripe ordered states are continuous and first-order, respectively.

Exact zero modes in frustrated Haldane chains

We show that the effective coupling between the spin-1/2 edge states of a spin-1 chain of finite length can be continuously tuned by frustration. For the $J_1-J_2$ model with nearest and next-nearest neighbor antiferromagnetic interactions, we show that the effective coupling in a chain of length $L$ changes sign $N\simeq 0.38 L$ times in the window $0.28\lesssim J_2/J_1 \lesssim 0.75$ where the short-range correlations are incommensurate. This implies that there are $N$ zero modes where the singlet and the triplet are strictly degenerate, i.e. $N$ values of $J_2/J_1$ where the spin-1/2 edge states are completely decoupled. We argue that this effect must be generic for all incommensurate phases with localized edge states, and we briefly discuss a few experimental implications.

Unveiling magnetic interactions of ruthenium trichloride via constraining direction of orbital moments: Potential routes to realize a quantum spin liquid

Recent experiments reveal that the honeycomb ruthenium trichloride {\alpha}-RuCl3 is a prime candidate of the Kitaev quantum spin liquid (QSL). However, there is no theoretical model which can properly describe its experimental dynamical response, due to the lack of a full understanding of its magnetic interactions. Here, we propose a general scheme to calculate the magnetic interactions in systems (e.g., {\alpha}-RuCl3) with non-negligible orbital moments by constraining the directions of orbital moments. With this scheme, we put forward a minimal J1-K1-{\Gamma}1-J3-K3 model for {\alpha}-RuCl3 and find that: (I) The third nearest neighbor (NN) antiferromagnetic Heisenberg interaction J3 stabilizes the zigzag antiferromagnetic order; (II) The NN symmetric off-diagonal exchange {\Gamma}1 plays a pivotal role in determining the preferred direction of magnetic moments and generating the spin wave gap. Exact diagonalization study on this model shows that the Kitaev QSL can be realized by suppressing the NN symmetric off-diagonal exchange {\Gamma}1 and the third NN Heisenberg interaction J3. Thus, we not only propose a powerful general scheme for investigating the intriguing magnetism of Jeff=1/2 magnets, but also point out future directions for realizing the Kitaev QSL in the honeycomb ruthenium trichloride {\alpha}-RuCl3.

Triphenylide-Based Molecular Solid—A New Candidate for a Quantum Spin-Liquid Compound

The reduction of polycyclic aromatic hydrocarbons with alkali metals results in solids having intriguing magnetic properties the understanding of which has been hitherto severely hampered by the lack of single-phase samples. Here, we report on the successful reduction of triphenylene with stoichiometric amount of potassium in 1,2-dimethoxyethane (DME) solution. Comprehensive diffraction measurements of the obtained K2(C18H12)2(DME) solid demonstrate the importance of cation-π interactions as responsible for the characteristic stacking of the triphenylide molecular ions. Electron paramagnetic resonance and magnetization measurements reveal K2(C18H12)2(DME) is a Mott insulator with strikingly strong nearest neighbor antiferromagnetic interactions between S = 1/2 spins of (C18H12)•– radical anions. Low dimensionality hinders long-range magnetic ordering and establishes a spin state that resembles gapped quantum spin liquid state.

Unusual Magnetic State with Dual Magnetic Excitations in the Single Crystal of S = 1/2 Kagome Lattice Antiferromagnet CaCu3(OH)6Cl2 ∙ 0.6H2O

We have succeeded in preparing single crystals of CaCu3(OH)6Cl2 ∙ 0.6H2O, a candidate for the S = 1/2 Kagome lattice antiferromagnet. Magnetic properties of the compound are dominated by the nearest neighbor antiferromagnetic interaction J1, and the next nearest neighbor ferromagnetic J2 and an antiferromagnetic Jd across a hexagon, which is different from related compounds Kapellasite and Haydeeite with ferromagnetic J1. Magnetic susceptibility exhibits a sudden increase below 13 K and a cusp anomaly at T* = 7.2 K in the ab-plane, whereas only a moderate enhancement is observed below T* along the c-axis. A tiny peak detected in heat capacity at T* indicates the occurrence of a magnetic phase transition. The low temperature magnetic heat capacity was reproduced by assuming a two-dimensional spin-wave component and a temperature-linear term. The spin-wave contribution suggests a magnon excitation in a short-range ordered region, whereas the relatively large T-linear term 5.9 mJ/(Cu-mol·K2) at H = 0 T of th...

Crystal Growth of a frustrated J1–J2 chain magnet NaCuMoO4(OH)

In a frustrated J1–J2 chain magnet with ferromagnetic nearest neighbor interactions J1 and antiferromagnetic next-nearest neighbor interactions J2, novel quantum states such as a spin nematic state are theoretically expected to be present. To detect the novel states experimentally, it is required to find a suitable model compound and to obtain its sizeable and high-quality single crystals. Here we report synthesis of a single-crystalline NaCuMoO4(OH), a model compound of frustrated J1–J2 chain magnet, by a hydrothermal method and discuss its magnetic properties. The temperature dependencies of magnetization are almost consistent with those of powder samples at high temperatures, while the peak in heat capacity divided by temperature associated with a magnetic transition becomes sharper and larger in the single crystal. This indicates the improved quality of the single-crystalline sample compared with the powder sample. Single-crystalline NaCuMoO4(OH) should give a new experimental approach to the novel spin-nematic states expected near 26 T.

Quantum phase diagram of distorted J1 − J2 Heisenberg S = 1/2 antiferromagnet in honeycomb lattice: a modified spin wave study

Using the modified spin wave method, we study the Heisenberg model with first and second neighbor antiferromagnetic exchange interactions. For a symmetric S = 1/2 model, with the same couplings for all the equivalent neighbors, we find three phases in terms of the frustration parameter : (1) a commensurate collinear ordering with staggered magnetization (Néel.I state) for , (2) a magnetically gapped disordered state for , preserving all the symmetries of the Hamiltonian and lattice, which by definition is a quantum spin liquid (QSL) state and (3) a commensurate collinear ordering in which two out of the three nearest neighbor magnetizations are antiparallel and the remaining pair are parallel (Néel.II state), for . We also explore the phase diagram of a distorted model with S = 1/2. Distortion is introduced as an inequality of one nearest neighbor coupling with the other two. This yields a richer phase diagram by the appearance of a new gapped QSL, a gapless QSL and also a valence bond crystal phase in addition to the previous three phases found for the undistorted model.

Synthesis, crystal structure and magnetic properties of a new copper oxo-antimony sulphate CuSb6O8(SO4)2.

The new copper oxo-antimony sulphate CuSb6O8(SO4)2 crystallizes in the triclinic space group P1[combining macron] with the unit cell parameters a = 5.5342(4) Å, b = 7.6706(6) Å, c = 9.2374(7) Å, α = 96.505(5)°, β = 93.818(4)°, γ = 109.733(4)° and Z = 1. The crystal structure is made up of layers stacking along [001]. The layers are charge neutral and are connected to each other by only weak interactions. The copper atoms adopt a square planar [CuO4] coordination and such units are well separated from each other by corner and edge sharing to [SbO4] building blocks. The latter polymerize to form sheets with the formula [Sb3O8]∞. Sulphate groups connect to the antimony oxide sheets by corner sharing and are located at the interface of the layers. Above ∼10 K the magnetic susceptibility follows very well a Curie-Weiss law whereas below 10 K increasing deviations indicate the onset of antiferromagnetic correlations. Fitting the data in the range 10-50 K yields a Curie-Weiss temperature θ of -2.25(5) K. A sharp anomaly centered at TC = 0.67 K in the heat capacity data indicates long-range magnetic ordering. Short range antiferromagnetic correlations well above TC are seen in the magnetic contribution to the heat capacity and the magnetic susceptibility. These can be well described by the magnetism of a spin S = 1/2 Heisenberg chain with the nearest neighbor antiferromagnetic spin exchange interaction of Jintra = ∼2.8 K.

Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(L-asp)]6[Cr(III)(CN)6]·2H2O.

All five coordinating atoms of the amino-acid dianion L-aspartate (L-asp = NH2CH(COO)CH2COO(2-)) are found to be involved in coordination with Mn(II) in the presence of [Cr(III)(CN)6](3-) to self-assemble into a chiral three-dimensional cyanide-bridged K3[Mn(L-asp)]6[Cr(CN)6]·2H2O containing the highest ratio of Mn:Cr of 6:1. It adopts the chiral P3 (no. 143) space group consisting of zigzag Mn-OCO-Mn chains sharing edges of hexagonal channels with central [Cr(CN)6](3-), while K(+) and H2O occupy another parallel star-shaped channel. Its magnetic susceptibility above 100 K is dominated by the nearest neighbor (Mn-Cr at 5.08 and 5.31 Å) antiferromagnetic (AF) exchange interactions (θ = -15(1) K) and below 40 K by further AF interaction between Mn and Mn at 5.32 Å. It finally reaches a steady value at 4.5 K, where a bifurcation of the zero-field-cooled and field-cooled magnetizations is observed in small fields (<1 kOe). The isothermal magnetization is linear in field and deviating toward saturation above 60 kOe at 2 K. No imaginary component of the ac susceptibilities is observed. This behavior is associated with long-range antiferromagnetic order of a helical or conic nature where the magnetic sublattices are numerous [2n × (6Mn + 1Cr)], leading to a domain of sufficient size to allow for the presence of the bifurcation. A model is proposed based on the local anisotropy and symmetry multiplicity of the space group.

Incommensurate-commensurate magnetic phase transition inSmRu2Al10

Magnetic properties of single crystalline SmRu$_{2}$Al$_{10}$ have been investigated by electrical resistivity, magnetic susceptibility, and specific heat. We have confirmed the successive magnetic phase transitions at $T_{\text{N}}=12.3$ K and $T_{\text{M}}=5.6$ K. Resonant x-ray diffraction has also been performed to study the magnetic structures. Below $T_{\text{N}}$, the Sm$^{3+}$ moments order in an incommensurate structure with $q_1=(0, 0.759, 0)$. The magnetic moments are oriented along the orthorhombic $b$ axis, which coincides with the magnetization easy axis in the paramagnetic phase. A very weak third harmonic peak is also observed at $q_3=(0, 0.278, 0)$. The transition at $T_{\text{M}}$ is a lock-in transition to the commensurate structure described by $q_1=(0, 0.75, 0)$. A well developed third harmonic peak is observed at $q_3=(0, 0.25, 0)$. From the discussion of the magnetic structure, we propose that the long-range RKKY interaction plays an important role, in addition to the strong nearest neighbor antiferromagnetic interaction.