二维磁性系统和准一维磁性纳米管的内能

采用量子统计理论的多体格林函数法计算二维单离子各向异性海森伯铁磁体、反铁磁体以及单壁铁磁纳米管的内能,对比铁磁体和反铁磁体的结果.在相同的参量下,反铁磁能量总是低于相应的铁磁能量(相变点除外).由于反铁磁能量随温度上升的速度较铁磁能量快,当温度升高到居里点T_C和奈尔点T_N时(T_C=T_N),铁磁能量和反铁磁能量相等.横向关联效应对系统内能的影响较大,不能忽略.     

Exact ground state of a spin ladder with a quantum phase transition

We introduce a spin ladder with Ising interactions along the legs and intrinsically frustrated Heisenberg-like ferromagnetic interactions on the rungs. The model is solved exactly in the subspaces relevant for the ground state by mapping to the quantum Ising model, and we show that a first order quantum phase transition separates the classical from quantum regime, with the spin correlations on the rungs being either ferromagnetic or antiferromagnetic, and different spin excitations in both regimes. The present case resembles the quantum phase transition found in the compass model in one and two dimensions.     

Magnetism in artificial lattices

We compare magnetism in two artificial lattice structures, a quantum dot array formed in a two-dimensional electron gas and an optical lattice loaded with repulsive, contact-interacting fermionic atoms. When the tunneling between the lattice sites is strong, both lattices are non-magnetic. With reduced tunneling in the tight-binding limit, the shell-filling of the single-site quantum wells combined with Hund's rule determines the magnetism. This leads to a systematic magnetic phase diagram with non-magnetic, ferromagnetic and antiferromagnetic phases.     

Nematic order in square lattice frustrated ferromagnets

We present a new scenario for the breakdown of ferromagnetic order in a two-dimensional quantum magnet with competing ferromagnetic and antiferromagnetic interactions. In this, dynamical effects lead to the formation of two-magnon bound states, which undergo Bose-Einstein condensation, giving rise to bond-centered nematic order. This scenario is explored in some detail for an extended Heisenberg model on a square lattice. In particular, we present numerical evidence confirming the existence of a state with d-wave nematic correlations but no long-range magnetic order, lying between the saturated ferromagnetic and collinear antiferromagnetic phases of the ferromagnetic model J1-J2. We argue by continuity of spectra that this phase is also present in a model with 4-spin cyclic exchange.     

Dimerized phase and transitions in a spatially anisotropic square lattice antiferromagnet

We investigate the spatially anisotropic square lattice quantum antiferromagnet. The model describes isotropic spin-1/2 Heisenberg chains (exchange constant J) coupled antiferromagnetically in the transverse (J( perpendicular )) and diagonal (J(x)), with respect to the chain, directions. Classically, the model admits two ordered ground states-with antiferromagnetic and ferromagnetic interchain spin correlations-separated by a first-order phase transition at J( perpendicular )=2J(x). We show that in the quantum model this transition splits into two, revealing an intermediate quantum-disordered columnar dimer phase, both in two dimensions and in a simpler two-leg ladder version. We describe quantum-critical points separating this spontaneously dimerized phase from classical ones.     

Double-exchange model: phase separation versus canted spins

We study the competition between different possible ground states of the double-exchange model with strong ferromagnetic exchange interaction between itinerant electrons and local spins. Both for classical and quantum treatment of the local spins the homogeneous canted state is shown to be unstable against a phase separation. The conditions for the phase separation into the mixture of the antiferromagnetic and ferromagnetic/canted states are given. We also discuss another possible realization of the phase-separated state: ferromagnetic polarons embedded into an antiferromagnetic surrounding. The general picture of a percolated state, which emerges from these considerations, is discussed and compared with results of recent experiments on doped manganaties. Received 17 March 1999     

Verification of a new quantum simulation approach through its application to two-dimensional Ising lattices

A new quantum simulation approach has been applied in the present work to the two-dimensional (2D) ferromagnetic and antiferromagnetic Ising lattices to calculate their magnetic structures, magnetizations, free energies and specific heats in the absence of an external magnetic field. Surprisingly, no size effects could be observed in our simulations performed for the Ising lattices of different sizes. Most importantly, our calculated spontaneous thermally averaged spins for the two kinds of systems are exactly same as those evaluated with quantum mean field theory, and the magnetic structures simulated at all chosen temperatures are perfectly ferromagnetic or antiferromagnetic, verifying the correctness and applicability of our quantum model and computational algorithm. On the other hand, if the classical Monte Carlo (CMC) method is applied to the ferromagnetic 2D Ising lattice with S=1, it is able to generate correct magnetization well consistent with Onsager's theory; but in the case of S=1/2, the computational results of CMC are incomparable to those predicted with the quantum mean field theory, giving rise to very much reduced magnetization and considerably underestimated Curie temperature. The difficulty met by the CMC method is mainly caused by its improperly calculated exchange energy of the randomly selected spin in every simulation step, especially immediately below the transition temperature, where the thermal averages of spins are much less than 1/2, however they are assigned to ±1/2 by CMC to evaluate the exchange energies of the spins, such improper manipulation is obviously impossible to lead the code to converge to the right equilibrium states of the spin systems.     

Ising-type critical exponents of the fully frustrated spin-1/2 Heisenberg FM/AF square bilayer at a critical magnetic field

The fully frustrated spin-1/2 Heisenberg FM/AF square bilayer in a magnetic field with the ferromagnetic inter-dimer interaction and the antiferromagnetic intra-dimer interaction is explored by the use of localized many-magnon approach, which allows to connect the original purely quantum Heisenberg spin model on a square bilayer with the effective ferromagnetic Ising model on a simple square lattice. Magnetization and specific heat are investigated exactly at a field-driven phase transition from the singlet-dimer phase towards the fully saturated ferromagnetic phase, which changes from a discontinuous phase transition to a continuous one at a certain critical temperature. The mapping correspondence between the spin-1/2 Heisenberg FM/AF square bilayer and the ferromagnetic Ising square lattice suggests for this special critical point of the spin-1/2 Heisenberg FM/AF square bilayer critical exponents from the standard two-dimensional Ising universality class.     

Static and dynamic double-exchange effects in doped manganites

It is shown that antiferromagnetic ordering in doped manganites with strong double-exchange interaction is transformed into ferromagnetic canted ordering with residual antiferromagnetic behavior in the basal plane as a result of hopping of mobile electron. The canting angle between the core magnetiztions is controlled by the competition of the Heisenberg antiferromagnetic exchange and double exchange. The temperatures of the paramagnet-antiferromagnet and paramagnet-canted ferromagnetic phase transitions are calculated. The results on the dependence of the magnetization in the canted phase and critical temperatures on the doping degree are in qualitative agreement with experiment. The form of uniform oscillations of core magnetiztions in the canted ferromagnetic phase of a doped manganite sample with hopping conduction is analyzed with and without allowance for relaxation of mobile electrons to the lattice. We propose a mechanism for the ferromagnetic resonance broadening and its resonance frequency shift in a ferromagnetic conducting sample (hopping conduction) of doped manganite due to double exchange. The resonance frequency shift and the ferromagnetic resonance damping constant (linewidth) are calculated in this model. In contrast to other relaxation mechanisms, the model is based on the fact that mobile electrons rapidly relax to the lattice (over a time on the order of the precession period).     

Interference of atomic levels and superfluid-Mott insulator phase transitions in a two-component Bose-Einstein condensate

The superfluid-Mott insulator phase transition in a Bose-Einstein condensate of neutral atoms with doubly degenerate internal ground states in an optical lattice is theoretically investigated. The optical lattice is created by two counterpropagating linearly polarized laser beams with the angle theta between the polarization vectors (lin-angle-lin configuration). The phase diagram of the system and the critical values of the parameters are worked out. It is shown that the sign of the detuning plays an important role and that there is a strong suppression of the Mott transition in the case of blue detuning. Varying the laser intensity and/or the angle theta one can manipulate the Mott insulator to superfluid quantum phase transition as well as prepare the condensate in physically distinguishable "ferromagnetic" and "antiferromagnetic" superfluid states.     

Monte Carlo study of the phase transitions in 2D ferro- and antiferromagnetic Potts models on a triangular lattice

The phase transitions in 2D ferro- and antiferromagnetic Potts models with number of spin states q = 3 on a triangular lattice are investigated by the cluster and classical Monte Carlo methods. Systems with linear sizes L = 20–120 are considered. Fourth-order Binder cumulants and histogram data analysis are used to show that second- and first-order phase transitions are observed in the ferromagnetic and antiferromagnetic Potts models, respectively. The static critical indices are calculated for specific heat α, susceptibility γ, magnetization β, and correlation length ν on the basis of finite-size scaling theory for a ferromagnetic Potts model.     

Spin and charge ordering in three-leg ladders in oxyborates

We study the spin ordering within the three-leg ladders present in the oxyborate Fe3O2BO3 consisting of localized classical spins interacting with conduction electrons (one electron per rung). We also consider the competition with antiferromagnetic superexchange interactions to determine the magnetic phase diagram. Besides a ferromagnetic phase we find (i) a phase with ferromagnetic rungs ordered antiferromagnetically and (ii) a zigzag canted spin ordering along the legs. We also determine the induced charge ordering within the different phases and the interplay with lattice instability. Our model is discussed in connection with the lattice dimerization transition observed in this system, emphasizing the role of the magnetic structure.     

Phase transitions in the two-dimensional ferro- and antiferromagnetic potts models on a triangular lattice

The phase transitions in the two-dimensional ferro- and antiferromagnetic Potts models with q = 3 states of spin on a triangular lattice are studied using cluster algorithms and the classical Monte Carlo method. Systems with linear sizes L = 20–120 are considered. The method of fourth-order Binder cumulants and histogram analysis are used to discover that a second-order phase transition occurs in the ferromagnetic Potts model and a first-order phase transition takes place in the antiferromagnetic Potts model. The static critical indices of heat capacity (α), magnetic susceptibility (γ), magnetization (β), and correlation radius index (ν) are calculated for the ferromagnetic Potts model using the finite-size scaling theory.     

Calculation and Comparison of Electronic,Vibrational, Polarization,and Magnetic Properties of Double Perovskites CaMnTi 2 O 6 and CaFeTi 2 O 6

Vibrational, polarization, magnetic, and electronic properties of double perovskites CaMnTi2O6 and CaFeTi2O6 with a rare type of “column” ordering of divalent metal cations have been calculated based on the density functional theory. Analysis of the crystal lattice dynamics for paraelectric phase P42/nmc of both compounds has revealed that ferroelectric instability exists only in CaMnTi2O6. It is found that the structure distortion of the paraphrase of CaMnTi2O6 in the eigenvector of the unstable polar mode leads to a structure with the P42/nmc space group. The calculated spontaneous polarization for the ferroelectric phase of CaMnTi2O6 is Ps = 25 μC/cm2. The spin-polarization calculations have shown that the ground state is ferromagnetic in the CaFeTi2O6 crystal and antiferromagnetic in the CaMnTi2O6 crystal. The exchange interaction constants have been calculated using the Heisenberg model and the mean field approximation; the phase transition temperature for each compound has been estimated.     

Phase diagram of the ground state of a classical anisotropic frustrated ferromagnet

The phase diagram of the ground state is obtained for the one-dimensional easy-axis model of classical spins coupled by ferromagnetic and antiferromagnetic exchanges between nearest and next-nearest neighbors, respectively. The parameters of the incommensurate magnetic structure with a variable step (soliton lattice) are calculated in the mean field approximation from the condition of the collinearity of spins to the effective exchange fields in the continuous approximation. The ground state of the soliton lattice and interfaces between soliton and collinear (ferromagnetic and “up–up–down–down”) phases are determined by the numerical minimization of the average energy over the initial angular velocity of spins.     

Quantum-mechanically induced asymmetry in the phase diagrams of spin-glass systems

The spin-1/2 quantum Heisenberg spin-glass system is studied in all spatial dimensions d by renormalization-group theory. Strongly asymmetric phase diagrams in temperature and antiferromagnetic bond probability p are obtained in dimensions d>or=3. The asymmetry at high temperatures approaching the pure ferromagnetic and antiferromagnetic systems disappears as d is increased. However, the asymmetry at low but finite temperatures remains in all dimensions, with the antiferromagnetic phase receding from the ferromagnetic phase. A finite-temperature second-order phase boundary directly between the ferromagnetic and antiferromagnetic phases occurs in d>or=6, resulting in a new multicritical point. In d=3, 4, 5, a paramagnetic phase reaching zero temperature intervenes asymmetrically between the ferromagnetic and reentrant antiferromagnetic phases. There is no spin-glass phase in any dimension.     

Magneto-elastic phase transition in a linear chain within the double and super-exchange model

In this work a magneto-elastic phase transition in a linear chain was obtained due the interplay between magnetism and lattice distortion in a double and super-exchange model. We consider a linear chain consisting of classical localized spins interacting with itinerant electrons. Due to the double exchange interaction, localized spins align ferromagnetically. This ferromagnetic tendency is expected to be frustrated by the anti-ferromagnetic super-exchange interaction between neighbor localized spins. Additionally, the lattice parameter is allowed to have small changes, which contributes harmonically to the energy of the system. The phase diagram is obtained as a function of the electron density and the super-exchange interaction using a Monte Carlo minimization. At low super-exchange interaction energy phase transition between electron-full ferromagnetic distorted and electron-empty anti-ferromagnetic undistorted phases occurs. In this case all electrons and lattice distortions were found within the ferromagnetic domain. For high super-exchange interaction energy, phase transition between two site distorted periodic arrangement of independent magnetic polarons ordered anti-ferromagnetically and the electron-empty anti-ferromagnetic undistorted phase was found. For this high interaction energy, Wigner crystallization, lattice distortion and charge distribution inside two-site polarons were obtained.     

三维钻石型等级晶格上量子Heisenberg系统的临界性质

利用重整化群方法,研究了三维钻石型等级晶格上的各向异性量子Heisenberg模型,获得了系统的相图和临界性质. 结果表明:对于铁磁系统,在各向同性Heisenberg极限下,系统存在有限温度的相变,并计算了系统的序参量和临界指数; 对于反铁磁系统,在各向同性Heisenberg极限下,临界温度不等于零,在临界线上不存在重入行为.     

Macroscopic Quantum Coherence in Antiferromagnetic Molecular Magnets

The macroscopic quantum coherence in a biaxial antiferromagnetic molecular magnet in the presence of magnetic field acting parallel to its hard anisotropy axis is studied within the two-sublattice model.On the basis of instanton technique in the spin-coherent-state path-integral representation,both the rigorous Wentzel-Kramers-Brillouin exponent and pre-exponential factor for the ground-state tunnel splitting are obtained.We find that the quantum fluctuations around the classical paths can not only induce a new quantum phase previously reported by Chiolero and Loss (Phys.Rev.Lett.80(1998)169),but also have great influence on the intensity of the ground-state tunnel splitting.Those features clearly have no analogue in the ferromagnetic molecular magnets.We suggest that they may be the universal behaviors in all antiferromagnetic molecular magnets.The analytical results are complemented by exact diagonalization calculation.     

Molecular spin resonance in the geometrically frustrated magnet MgCr2O4 by inelastic neutron scattering

We measured two magnetic modes with finite and discrete energies in an antiferromagnetic ordered phase of a geometrically frustrated magnet MgCr2O4 by single-crystal inelastic neutron scattering, and clarified the spatial spin correlations of the two levels: one is an antiferromagnetic hexamer and the other is an antiferromagnetic heptamer. Since these correlation types are emblematic of quasielastic scattering with geometric frustration, our results indicate instantaneous suppression of lattice distortion in an ordered phase by spin-lattice coupling, probably also supported by orbital and charge. The common features in the two levels, intermolecular independence and discreteness of energy, suggest that the spin molecules are interpreted as quasiparticles (elementary excitations with energy quantum) of highly frustrated spins, in analogy with the Fermi liquid approximation.