Using quantum Monte Carlo, exact diagonalization and perturbation theory, we study the spectrum of the $S=1/2$ antiferromagnetic Heisenberg trimer chain by varying the ratio $g=J_2/J_1$ of the intertrimer and intratrimer coupling strengths. The doublet ground states of trimers form effective interacting $S=1/2$ degrees of freedom described by a Heisenberg chain. Therefore, the conventional two-spinon continuum of width $\propto J_1$ when $g=1$ evolves into to a similar continuum of width $\propto J_2$ when $g\to 0$. The intermediate-energy and high-energy modes are termed \emph{doublons} and \emph{quartons} which fractionalize with increasing $g$ to form the conventional spinon continuum. In particular, at $g \approx 0.716$, the gap between the low-energy spinon branch and the high-energy band with mixed doublons, quartons, and spinons closes. These features should be observable in inelastic neutron scattering experiments if a quasi-one-dimensional quantum magnet with the linear trimer structure and $J_2<J_1$ can be identified. Our results may open a window for exploring the high-energy fractional excitations.
A quantum-mechanical 1/3 magnetization plateau and magnetic long-range order appear in the large-spin (5/2) substance SrMn3P4O14. Magnetization results of SrMn3P4O14 can be explained by the spin-5/2 isolated antiferromagnetic linear trimer with the intra-trimer interaction ($J_1$) value of 4.0 K. In the present study, to confirm the spin system, we performed inelastic neutron scattering (INS) experiments of SrMn3P4O14 powders. We observed plural magnetic excitations. The peak positions are 0.46, 0.68, and 1.02 meV. Constant-Q-scan spectra at several Q values (magnitude of the scattering vector…
We present exact models for an antiferromagnetic S=1 spin chain describing trimerization as well as for an antiferromagnetic S=3/2 spin chain describing tetramerization. These models can be seen as generalizations of the Majumdar-Ghosh model. For both models, we provide a local Hamiltonian and its exact three- or four-fold degenerate ground state wavefunctions, respectively. We numerically confirm the validity of both models using exact diagonalization and discuss the low lying excitations.
Understanding exotic forms of magnetism in quantum spin systems is an emergent topic of modern condensed matter physics. Quantum dynamics can be described by particle-like carriers of information, known-as quasiparticles that appear from the collective behaviour of the underlying system. Spinon excitations, governing the excitations of quantum spin-systems, have been accurately calculated and precisely verified experimentally for the antiferromagnetic chain model. However, identification and characterization of novel quasiparticles emerging from the topological excitations of the spin system h…
We study the breakdown of the magnetization plateau at the magnetization M=M_{S}/3 (M_{S} is the saturation magnetization) of the S=1/2 anisotropic spin chain with ferromagnetic-ferromagnetic-antiferromagnetic interactions. We consider the model with the isotropic ferromagnetic (trimer) coupling J_{F}, and anisotropic antiferromagnetic coupling (J_{x}=J_{y}=J_{AF} and J_{z}=ΔJ_{AF}). For the limit of large γ\equiv J_{F}/J_{AF}, the model is equivalent to the S=3/2 XXZ chain with the exchange anisotropy Δ. There is a phase transition between the plateau (small-γ) and the no-plateau (large-γ) re…
Fudan University（复旦大学）；New Cornerstone Science Laboratory, Department of Physics, School of Science, Westlake University（西湖大学理学院物理系新Cornerstone科学实验室）；Institute of Natural Sciences, Westlake Institute for Advanced Study（西湖高等研究院自然科学院）；Rudolf Peierls Centre for Theoretical Physics, Clarendon Laboratory, Parks Road, Oxford（牛津大学克拉伦登实验室鲁道夫·派尔斯理论物理中心）；Institute for Theoretical Sciences, Westlake University（西湖大学理论科学研究院）；Key Laboratory for Quantum Materials of Zhejiang Province, School of Science, Westlake University（西湖大学理学院浙江省量子材料重点实验室）
We show that the antiferromagnetic structure in the quantum spin trimer system ${{\rm Ca_{3}CuNi_2(PO_4)_4}}$ is based on both arms of propagation vector $\vec{k}$ star $\{[{1\over2},{1\over2},0],[-{1\over2},{1\over2},0]\}$ of the paramagnetic space group $C2/c$. The structure is generated by a symmetric direction of the order parameter of two dimensional irreducible representation of $C2/c$ with one active magnetic mode and corresponds to the Shubnikov magnetic space group $C_a2/c$. We reveal the relation between representation analysis in the propagation vector formalism and Shubnikov symmet…
The quantum entanglement measure is determined, for the first time, for antiferromagnetic trimer spin-1/2 Heisenberg chains. The physical quantity proposed to measure the entanglement is the distance between states by adopting the Hilbert-Schmidt norm. The method is applied to the new magnetic Cu(II) trimer system, 2b.3CuCl_2.2H_2O, and to the trinuclear Cu(II) halide salt, (3MAP)_2Cu_2Cl_8. The decoherence temperature, above which the entanglement is suppressed, is determined for the both systems. A correlation among their decoherence temperatures and their respective exchange coupling consta…
We present an inelastic neutron scattering (INS) study of the excitation spectrum of a model S = 1/2 equilateral Heisenberg trimer, Cu_3(O_2C_16H_23)_6.1.2C_6H_12. Earlier measurements were interpreted on the basis of a spin ground state consisting of a pair of degenerate S = 1/2 doublets, with an S = 3/2 quartet excited state. Given that the simplest model of magnetism for this compound includes a degenerate ground state, using thermodynamic probes to determine the excitation energy between the ground and excited states is challenging. An estimate of the excitation energy between the ground a…
We study a spin-5/2 antiferromagnetic trimerized chain substance SrMn3P4O14 using neutron powder diffraction experiments. The coplanar spiral magnetic structure appears below T_N1 = 2.2(1) K. Values of several magnetic structure parameters change rapidly at T_N2 = 1.75(5) K, indicating another phase transition, although the magnetic structures above and below T_N2 are the qualitatively same. The spiral magnetic structure can be explained by frustration between nearest-neighbor and next-nearest-neighbor exchange interactions in the trimerized chains.
The problem of three interacting Kondo impurities is solved within a numerically exact continuous time quantum Monte Carlo scheme. A suppression of the Kondo resonance by interatomic exchange interactions for different cluster geometries is investigated. It is shown that a drastic difference between the Heisenberg and Ising cases appears for antiferromagnetically coupled adatoms. The effects of magnetic frustrations in the adatom trimer are investigated, and possible connections with available experimental data are discussed.
Resonant inelastic x-ray scattering spectra of spinon, doublon, and quarton excitations of a spin-$\frac{1}{2}$ antiferromagnetic Heisenberg trimer chain
We investigate the pairing and crystalline instabilities of bosonic and fermionic polar molecules confined to a ladder geometry. By means of analytical and quasi-exact numerical techniques, we show that gases of composite molecular dimers as well as trimers can be stabilized as a function of the density difference between the wires. A shallow optical lattice can pin both liquids, realizing crystals of composite bosons or fermions. We show that these exotic quantum phases should be realizable under current experimental conditions in finite-size confining potentials.
We theoretically study low-temperature properties of the antiferromagnetic Heisenberg model with half-integer spin $S$ on the Kagome lattice with large trimerization. We have derived a low-energy effective model for general $S$ in terms of spin and nematicity operators in triangular units, and studied their low-temperature correlations for S=3/2 by classical Monte Carlo simulations. The previous study for the S=1/2 case [M. Ferrero et al., Phys. Rev. B 68, 214431 (2003)] reported a spin liquid state at low temperatures driven by a glassy behavior of isolated dimers and trimers of nematicities.…
The magnetization and specific heat measurements have been performed on single-crystalline Gd_3_Ru_4_Al_12_ with a distorted Kagome lattice structure. This spin system is regarded as an antiferromagnetic triangular lattice of XY like Heisenberg model at low temperatures. The magnetic phase diagrams indicate the existence of frustration and Z_2_ degeneracy. The magnetization and specific heat imply the successive phase transitions with partial disorder and a T-shaped spin structure in the ground state.
We treat the ground state, elementary excitations, and neutron scattering cross section for a system of trimers consisting of three tightly bound spins 1/2 on a distorted Kagomé lattice, subject to isotropic nearest neighbor (usually antiferromagnetic) Heisenberg interactions. The interactions between trimers are assumed to be weak compared to the intra trimer interactions. We compare the spin-wave excitation spectrum of trimers with that obtained from standard spin-wave theory and attribute the differences at low energy to the fact that the trimer formulation includes exactly the effects of i…
We investigate a system of three tunnel-coupled semiconductor quantum dots in a triangular geometry, one of which is connected to a metallic lead, in the regime where each dot is essentially singly occupied. Both ferro- and antiferromagnetic spin-1/2 Kondo regimes, separated by a quantum phase transition, are shown to arise on tuning the interdot tunnel couplings and should be accessible experimentally. Even in the ferromagnetically-coupled local moment phase, the Kondo effect emerges in the vicinity of the transition at finite temperatures. Physical arguments and numerical renormalization gro…
Spin-spin correlations and microscopic origin of net magnetization in the spin-1 trimer chain compound CaNi3P4O14 have been investigated by powder neutron diffraction. The present study reveals a 3D long-range magnetic ordering below 16 K where the magnetic structure consists of ferromagnetic trimers that are coupled ferromagnetically along the spin-chain. The moment components along the a and c axes arrange antiferromagnetically. Our study establishes that the uncompensated moment components along the b axis result in a net magnetization per unit cell. The magnetic structure, determined in th…
The density matrix renormalization group and quantum Monte Carlo method are used to describe coupled trimer chains in a magnetic field h. The Hamiltonian contains exchange terms involving the intra-trimer coupling J1 (taken as the unit of energy) and the inter-trimer coupling J2, plus the Zeeman interaction for a magnetic field h along the z direction. Results for the magnetization per trimer m are calculated in regimes of positive and negative values of the ratio J = J2 / J1, from which the rich field-induced ground state phase diagram h vs. J is derived, with the presence of Luttinger liquid…
La$_4$Cu$_3$MoO$_{12}$ is a cluster antiferromagnet where copper spin-1/2 form a network of st rongly coupled spin-trimers. The magnetic properties of this material have bee n examined using magnetic neutron scattering. At low temperatures, excitations from the ground state are observed at 7.5(3) meV and 132.5(5) meV. An additio nal peak in the neutron scattering spectrum, which appears at 125.0(5) meV on heating is ascribed to a transition between excited states. The wave-vector an d temperature-dependence of the inelastic magnetic scattering cross section is consistent with intra-trimer tran…
The magnetization process, the susceptibility and the specific heat of the spin-1/2 AF-AF-F and F-F-AF trimerized quantum Heisenberg chains have been investigated by means of the transfer matrix renormalization group (TMRG) technique as well as the modified spin-wave (MSW) theory. A magnetization plateau at $m=1/6$ for both trimerized chains is observed at low temperature. The susceptibility and the specific heat show various behaviors for different ferromagnetic and antiferromagnetic interactions and in different magnetic fields. The TMRG results of susceptibility and the specific heat can be…
We investigate elastic deformations of spin $S=1/2$ antiferromagnetic $J_1-J_2$ Heisenberg chains, at $M=1/3$ magnetization, coupled to phonons in the adiabatic approximation. Using a bosonization approach we predict the existence of non-homogeneous trimerized magnetoelastic phases. A rich ground state phase diagram is found, including classical and quantum plateau states for the magnetic sector as well as inequivalent lattice deformations within each magnetic phase. The analytical results are supported by exact diagonalization of small clusters.
We explore the frustrated spin-$1/2$ Heisenberg model on the star lattice with antiferromagnetic (AF) couplings inside each triangle and ferromagnetic (FM) inter-triangle couplings ($J_e<0$), and calculate its magnetic and thermodynamic properties. We show that the FM couplings do not sabotage the magnetic disordering of the ground state due to the frustration from the AF interactions inside each triangle, but trigger a fully gapped inversion-symmetry-breaking trimerized valence bond crystal (TVBC) with emergent spin-1 degrees of freedom. We discover that with strengthening $J_e$, the system s…
We consider a class of geometrically frustrated Heisenberg spin systems which admit exact ground states. The systems consist of suitably coupled antiferromagnetic spin trimers with integer spin quantum numbers $s$ and their ground state $Φ$ will be the product state of the local singlet ground states of the trimers. We provide linear equations for the inter-trimer coupling constants which are equivalent to $Φ$ being an eigenstate of the corresponding Heisenberg Hamiltonian and sufficient conditions for $Φ$ being a ground state. The classical case $s\to\infty$ can be completely analyzed. For th…
Spinons are well-known as the elementary excitations of one-dimensional antiferromagnetic chains, but means to realize spinons in higher dimensions is the subject of intense research. Here, we use resonant x-ray scattering to study the layered trimer iridate Ba4Ir3O10, which shows no magnetic order down to 0.2 K. An emergent one-dimensional spinon continuum is observed that can be well-described by XXZ spin-1/2 chains with magnetic exchange of ~55 meV and a small Ising-like anisotropy. With 2% isovalent Sr doping, magnetic order appears below TN=130 K along with sharper excitations, indicating…
We study the magnetization plateau at a third of the saturation magnetization of the S=1/2 trimerized XXZ spin chain at T=0. The appearance of the plateau depends on the values of the XXZ anisotropy and the magnitude of the trimerization. This plateauful-plateauless transition is a quantum phase transition of the Berezinskii-Kosterlitz-Thouless type, which is difficult to precisely detect from the numerical data. To determine the phase boundary line of this transition precisely, we use the level crossing of low-lying excitations obtained from the numerical diagonalization. We also discuss the …
Successive magnetic phase transitions at $T_1$=17.5 K and $T_2$=18.5 K in Gd$_3$Ru$_4$Al$_{12}$, with a distorted kagome lattice of Gd ions, is studied using resonant X-ray diffraction with polarization analysis. It has been suggested that in this compound the $S=7/2$ spins on the nearest-neighbor Gd-triangle form a ferromagnetic trimer and the Gd lattice can be effectively considered as an antiferromagnetic triangular lattice of $S=21/2$ spin trimers [S. Nakamura et al., Phys. Rev. B 98, 054410 (2018)]. We show that the magnetic order in this system is described by an incommensurate wave vect…
Motivated by recent experimental work on FeCrAs, we study the magnetic properties of classical spin models on the hexagonal Fe$_2$P/ZrNiAl structure (space group $P{\bar{6}}2m$). When both transition metal/rare earth sites carry magnetic moments, one has alternating distorted kagome and triangular lattice layers. Each point of the triangular lattice lies at the centre of a distorted hexagon and actually corresponds to three isolated magnetic atoms: a "trimer". We show that a simple model consisting of antiferromagnetically correlated Heisenberg spins on the frustrated distorted kagome lattice …
We study the antiferromagnetic spin-half Heisenberg ladder in the presence of an additional frustrating rung spin which is motivated and relevant also for the description of real two-dimensional materials such as the two-dimensional trimer magnet Ba$_4$Ir$_3$O$_{10}$. We study the zero-temperature phase diagram, where we combine numerical and analytical methods into an overall consistent description. All numerical simulations are also accompanied by studies of the dynamical spin structure factor obtained via the density matrix renormalization group. Overall, we find in the regime of strong run…
We study the classical antiferromagnetic Heisenberg model on the triangular lattice with Dzyaloshinskii-Moriya interactions in a magnetic field. We focus in particular in the emergence of a composite spin crystal phase, dubbed antiferromagnetic skyrmion lattice, that was recently observed in [Phys. Rev. B 92, 214439 (2015)] for intermediate fields. This complex phase can be made up from three inter-penetrated skyrmion lattices, one for each sub-lattice of the original triangular one. Following these recent numerical results, in this paper we explicitly construct the low-energy effective action…
We have investigated the antiferromagnetic phase of the 2D, the 3D and the extended Hubbard models on a bipartite cubic lattice by means of the Composite Operator Method within a two-pole approximation. This approach yields a fully self-consistent treatment of the antiferromagnetic state that respects the symmetry properties of both the model and the algebra. The complete phase diagram, as regards the antiferromagnetic and the paramagnetic phases, has been drawn. We firstly reported, within a pole approximation, three kinds of transitions at half-filling: Mott-Hubbard, Mott-Heisenberg and Heis…
Frustration effects on the magnetization plateau physics in a trimerized quantum spin-1/2 chain
Instituto de Física, Universidade Federal de Mato Grosso do Sul（南马托格罗索联邦大学物理研究所）；Departamento de Física, Universidade Federal de Santa Maria（圣玛丽亚联邦大学物理系）
Recent theoretical studies raised the possibility of a realization of spin nematic states in the S=1 triangular lattice compound NiGa_2S_4. We study the bilinear-biquadratic spin 1 chain in a zig-zag geometry by means of the density matrix renormalization group method and exact diagonalization. We present the phase diagram focusing on antiferromagnetic interactions. Adjacent to the known Haldane-double Haldane and the extended critical phase with dominant spin nematic correlations we find a trimerized phase with a nonvanishing energy gap. We discuss results for different order parameters, ener…
Barium ruthenate Ba$_{4}$Ru$_{3}$O$_{10}$, in which Ru$_{3}$O$_{12}$ trimers are connected together to form a chequered two-dimensional framework, has been synthesised and its structural, magnetic and transport properties studied between 300 K and 2 K. The paramagnetic to antiferromagnetic transition at $T_N \sim 105$ K evidenced on the susceptibility curve coincides with an increase of electron localization in transport measurements. Thermoelectric power and Hall coefficient measurements both exhibit dramatic changes at $T_N$, characteristic of a reconstruction of the bands structure near the…
Quantum spin systems such as magnetic insulators usually show classical magnetic order, but such classical states can give way to quantum liquids with exotic entanglement through two known mechanisms of frustration: geometric frustration in lattices with triangle motifs, and spin-orbit-coupling frustration in the exactly solvable quantum liquid of Kitaev's honeycomb lattice. Here we present the experimental observation of a new kind of frustrated quantum liquid arising in an unlikely place: the magnetic insulator Ba4Ir3O10 where Ir3O12 trimers form an unfrustrated square lattice. Experimentall…
Motivated by recent experiments on volborthite single crystals showing a wide 1/3-magnetization plateau, we perform microscopic modeling by means of density functional theory (DFT) with the single-crystal structural data as a starting point. Using DFT+U, we find four leading magnetic exchanges: antiferromagnetic J and J2, as well as ferromagnetic J' and J1. Simulations of the derived spin Hamiltonian show good agreement with the experimental low-field magnetic susceptibility and high-field magnetization data. The 1/3-plateau phase pertains to polarized magnetic trimers formed by strong J bonds…
Magnetic excitations and the spin Hamiltonian of the spin-1 J1-J1-J2 trimer chain compound CaNi3P4O14 have been investigated by inelastic neutron scattering. Experimental data reveal gapped dispersive spin wave excitations in the 3D long-range ordered magnetic state (TC = 16 K), and gapless magnetic excitations above the TC. Simulated magnetic excitations, by using the linear spin wave theory, for a model of coupled trimer spin-chains provide a good description of the observed experimental data. The analysis reveals both ferromagnetic J1 and J2 interactions within the chains, and an antiferrom…
We carried out a comprehensive study of magnetic critical behavior in single crystals of ternary chalcogenide FeCr$_2$Te$_4$ that undergoes a ferrimagnetic transition below $T_c$ $\sim$ 123 K. Detailed critical behavior analysis and scaled magnetic entropy change indicate a second-order ferrimagentic transition. Critical exponents $β= 0.30(1)$ with $T_c = 122.4(5)$ K, $γ= 1.22(1)$ with $T_c = 122.8(1)$ K, and $δ= 4.24(2)$ at $T_c$ $\sim$ 123 K suggest that the spins approach three-dimensional Ising ($β$ = 0.325, $γ$ = 1.24, and $δ$ = 4.82) model coupled with the attractive long-range interacti…
We report the presence of giant spontaneous exchange bias (HSEB) in a hard and soft antiferromagnetic composite of BiFeO3-TbMnO3 (BFO-TMO in 7:3 and 8:2 ratio). The HSEB varies between 5-778Oe, but persists up to room temperature with a maximum near a spin reorientation transition temperature observed from magnetization vs. temperature measurement in Zero-field cooled (ZFC) and Field cooled (FC) modes. Isothermal remnant magnetization measurements at room temperature indicate the presence of an interfacial layer of a 2 dimensional dilute antiferromagnet in a field (2D DAFF). A stable value of …
Crystal and magnetic structures of a series of novel quantum spin trimer system Ca3Cu3xNix(PO4)4 (x=0,1,2) were studied by neutron powder diffraction at the temperatures 1.5-290 K. The composition with one Ni per trimer (x=1) has a monoclinic structure (space group P 21 /a, no. 14) with the unit cell parameters a = 17.71 A, b = 4.89 A, c = 8.85 A and = 123.84 deg at T=290 K. The (x=2) composition crystallizes in the C 2/c space group (no. 15) with the doubled unit cell along c-axis. Each trimer is formed by two crystallographic positions: one in the middle and the second one at the ends of the…
We revisit bulk FeSe through the systematic first-principles electronic structure calculations. We find that there are a series of staggered $n$-mer antiferromagnetic (AFM) states with corresponding energies below that of the collinear AFM state which is the ground state for the parent compounds of most iron-based superconductors. Here the staggered $n$-mer ($n$ any integer $>1$) means that a set of $n$ adjacent spins parallel on a line along $b$-axis with spins in antiparallel between $n$-mers and along $a$-axis. Among them, the lowest energy states are quasi-degenerate staggered dimer and st…
An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase diagram of the half-filled three-orbital model has recently been explored in detail, the properties of the doped system remain to be clarified. Here, we complement the previous studies by computing the entropy of the half-filled model, which exhibits an increase in the orbital-frozen region, and a suppression in the composite ordered phase. The doping dependent…
The microscopic structure of a charge stripe in an antiferromagnetic insulator is studied within the t-Jz model using analytical and numerical approaches. We demonstrate that a stripe in an antiferromagnet should be viewed as a system of composite holon-spin-polaron excitations condensed at the self-induced antiphase domain wall (ADW) of the antiferromagnetic spins. The properties of such excitations are studied in detail with numerical and analytical results for various quantities being in very close agreement. A picture of the stripe as an effective one-dimensional (1D) band of such excitati…
We study the spin-$\frac32$ Hubbard-Kondo lattice model by means of the Composite Operator Method, after applying a Holstein-Primakov transformation. The spin and particle dynamics in the ferromagnetic state are calculated by taking into account strong on-site correlations between electrons and antiferromagnetic exchange among $\frac32$ spins, together with usual Hund coupling between electrons and spins.
We study a one-dimensional electron gas in a special antiferromagnetic environment made by two spin-1/2 Heisenberg chains and the one-dimensional two-channel Kondo-Heisenberg lattice away from half-filling. These models flow to an intermediate fixed point which belongs to the universality class of chirally stabilized liquids. Using a Toulouse point approach, the universal properties of the models are determined as well as the identification of the leading instabilities. It is shown that these models exhibit a non-Fermi liquid behavior with strong enhanced composite pairing correlations.
We report experimental evidence of formation of antiferromagnetic clusters in composites made of a cuprate superconductor La1.85Sr0.15CuO4 (LCu) and a ferromagnet La0.6Sr0.4CoO3 (LCo). From linear and non-linear ac-susceptibility measurement on this composite material it is found that the exchange field of LCo suppress the dynamic antiferromagnetic spin fluctuation of LCu and convert it into the short range ordered superparamagnetic type antiferromagnetic (AFM) clusters at the cost of superconducting volume fraction. These shrank superconducting volume fraction shows quantum size effect (QSE) …
