Metastability of Ising spin chains with nearest—neighbour and next—nearest—neighbour interactions in random fields

One-dimensional Ising systems in random fields (RFs) are studied taking into account the nearest-neighbour and next-nearest-neighbour interactions. We investigate two distributions of RFs: binary and Gaussian distributions. We consider four cases of the exchange couplings: ferro－ferromagnetic (F－F), ferro－antiferromagnetic (F－AF), antiferro－ferromagnetic (AF－F) and antiferro－antiferromagnetic (AF－AF). The energy minima of chains of no more than 30 spins with periodic boundary conditions are analysed exactly. We found that the average number of energy minima grows exponentially with the number of spins in both cases of RFs. The energy distributions across the corresponding energy minima are shown. The effects of RFs on both the average and density of metastable states are explained. For a weak RF, the energy distributions display a multipartitioned structure. We also discuss the frustration effect due to RFs and exchange fields. Finally, the distributions of magnetization are calculated. The absolute value of magnetization averaged over all metastable states decreases logarithmically with the number of spins.     

Thermal entanglement in the mixed three-spin XXZ Heisenberg model on a triangular cell

We numerically investigate the thermal entanglements of spins （1/2, 1） and spins （1/2, 1/2） in the three-mixed （1/2, 1, 1/2） anisotropic Heisenberg XXZ spin system on a simple triangular cell under an inhomogeneous magnetic field. We show that the external magnetic field induces strong plateau formation in the pairwise thermal entanglement for fixed parame-ters of the Hamiltonian in the cases of ferromagnetic and antiferromagnetic interactions. We also .observe an unexpected critical point at finite temperature in the thermal entanglement of spins （1/2, 1） for the antiferromagnetic case, while the entanglement of spins （1/2, 1） in the ferromagnetic case and the entanglement of spins （1/2, 1/2） in both ferromagnetic and antiferromagnetic cases almost decay exponentially to zero with increasing temperature. The critical point in the en-tanglement of spins （1/2, 1） in the antiferromagnetic case may be a signature of the quantum phase transition at finite temperature.     

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.     

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     

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.     

Investigation of magnetization reversal process in pinned CoFeB thin film by in-situ Lorentz TEM

Exchange bias effect has been widely employed for various magnetic devices.The experimentally reported magnitude of exchange bias field is often smaller than that predicted theoretically,which is considered to be due to the partly pinned spins of ferromagnetic layer by antiferromagnetic layer.However,mapping the distribution of pinned spins is challenging.In this work,we directly image the reverse domain nucleation and domain wall movement process in the exchange biased Co Fe B/Ir Mn bilayers by Lorentz transmission electron microscopy.From the in-situ experiments,we obtain the distribution mapping of the pinning strength,showing that only 1/6 of the ferromagnetic layer at the interface is strongly pinned by the antiferromagnetic layer.Our results prove the existence of an inhomogeneous pinning effect in exchange bias systems.     

Soft X-ray resonant magnetic scattering study of magnetization reversal in low dimensional magnetic heterostructures

Soft X-ray resonant magnetic scattering (SXRMS) has been used to investigate the microscopic magnetization reversal behavior of complex magnetic systems. SXRMS is a unique technique, providing chemical, spatial and magnetic sensitivity, which is not affected by external magnetic fields. The study of two selected thin magnetic heterostructures is presented, amorphous rare-earth transition metal alloys and perpendicular exchange coupled antiferromagnetic/ferromagnetic films. In the first system, the internal structure of magnetic stripe domains on nanometer length scales is obtained by measuring bi-dimensional (2D) scattering images. In the second system, the element specificity is exploited to identify the role of the uncompensated spins in the antiferromagnetic layer on the exchange coupling phenomena. Future trends are also discussed.     

Nanomagnetic droplets and implications to orbital ordering in LA(1-x)Sr(x)CoO3

Inelastic cold-neutron scattering on LaCoO3 provided evidence for a distinct low energy excitation at 0.6 meV coincident with the thermally induced magnetic transition. Coexisting strong ferromagnetic (FM) and weaker antiferromagnetic correlations that are dynamic follow the activation to the excited state, identified as the intermediate S = 1 spin triplet. This is indicative of dynamical orbital ordering favoring the observed magnetic interactions. With hole doping as in La(1-x)Sr(x)CoO3 , the FM correlations between Co spins become static and isotropically distributed due to the formation of FM droplets. The correlation length and condensation temperature of these droplets increase rapidly with metallicity due to the double exchange mechanism.     

Ordering of magnetic impurities and tunable electronic properties of topological insulators

We study collective behavior of magnetic adatoms randomly distributed on the surface of a topological insulator. Interactions of an ensemble of adatoms are frustrated, as the RKKY-type interactions of two adatom spins depend on the directions of spins relative to the vector connecting them. We show that at low temperatures the frustrated RKKY interactions give rise to two phases: an ordered ferromagnetic phase with spins pointing perpendicular to the surface, and a disordered spin-glass-like phase. The two phases are separated by a quantum phase transition driven by the magnetic exchange anisotropy. The ordered phase breaks time-reversal symmetry spontaneously, driving the surface states into a gapped state, which exhibits an anomalous quantum Hall effect and provides a realization of the parity anomaly. We find that the magnetic ordering is suppressed by potential scattering.     

NMR probe of phase segregation in electron doped mixed valence manganites

A 55Mn and 139La NMR study of La0.35Ca0.65MnO3 is reported. The zero field 55Mn spectra consist of two lines centered at 290 and 375 MHz. Their behavior under an applied magnetic field makes it possible to attribute them to regions of antiferromagnetically and ferromagnetically coupled Mn spins, respectively. This gives evidence for the existence of electronic phase segregation of microscopic ferromagnetic regions of double exchange coupled Mn spins over a charge ordered antiferromagnetic background. The behavior of these ferromagnetic regions in the applied magnetic field is related to the magnetoresistive properties of the manganites.     

Origin of the 150-K anomaly in LaFeAsO: competing antiferromagnetic interactions, frustration, and a structural phase transition

From all-electron fixed-spin-moment calculations we show that ferromagnetic and checkerboard antiferromagnetic ordering in LaFeAsO are not stable and the stripe antiferromagnetic configuration with M(Fe)=0.48 microB is the only stable ground state. The main exchange interactions between Fe ions are large, antiferromagnetic, and frustrated. The magnetic stripe phase breaks the tetragonal symmetry, removes the frustration, and causes a structural distortion. These results successfully explain the magnetic and structural phase transitions in LaFeAsO recently observed by neutron scattering. The presence of competing strong antiferromagnetic exchange interactions suggests that magnetism and superconductivity in doped LaFeAsO may be strongly coupled, much like in the high-T(c) cuprates.     

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.     

Spin order due to orbital fluctuations: cubic vanadates

We investigate the highly frustrated spin and orbital superexchange interactions in cubic vanadates. The fluctuations of t(2g) orbitals trigger a novel mechanism of ferromagnetic interactions between spins S = 1 of V3+ ions along one of the cubic directions which operates already in the absence of Hund's rule exchange J(H), and leads to the C-type antiferromagnetic phase in LaVO3. The Jahn-Teller effect can stabilize the orbital ordering and the G-type antiferromagnetic phase at low temperatures, but large entropy due to orbital fluctuations favors again the C phase at higher temperatures, as observed in YVO (3).     

Structural,electronic,and magnetic properties of vanadium atom-adsorbed MoSe_2 monolayer

Using the first-principles calculations, we study the structural, electronic, and magnetic properties of vanadium adsorbed MoSe_2 monolayer, and the magnetic couplings between the V adatoms at different adsorption concentrations. The calculations show that the V atom is chemically adsorbed on the MoSe_2 monolayer and prefers the location on the top of an Mo atom surrounded by three nearest-neighbor Se atoms. The interatomic electron transfer from the V to the nearestneighbor Se results in the polarized covalent bond with weak covalency, associated with the hybridizations of V with Se and Mo. The V adatom induces local impurity states in the middle of the band gap of pristine MoSe_2, and the peak of density of states right below the Fermi energy is associated with the V- dz~2 orbital. A single V adatom induces a magnetic moment of 5 μBthat mainly distributes on the V-3d and Mo-4d orbitals. The V adatom is in high-spin state, and its local magnetic moment is associated with the mid-gap impurity states that are mainly from the V-3d orbitals. In addition,the crystal field squashes a part of the V-4s electrons into the V-3d orbitals, which enhances the local magnetic moment.The magnetic ground states at different adsorption concentrations are calculated by generalized gradient approximations(GGA) and GGA+U with enhanced electron localization. In addition, the exchange integrals between the nearest-neighbor V adatoms at different adsorption concentrations are calculated by fitting the first-principle total energies of ferromagnetic(FM) and antiferromagnetic(AFM) states to the Heisenberg model. The calculations with GGA show that there is a transition from ferromagnetic to antiferromagnetic ground state with increasing the distance between the V adatoms. We propose an exchange mechanism based on the on-site exchange on Mo and the hybridization between Mo and V, to explain the strong ferromagnetic coupling at a short distance between the V adatoms. However, the ferromagnetic exchange mechanism is sensitive to both the increased inter-adatom distance at low concentration and the enhanced electron localization by GGA+U, which leads to antiferromagnetic ground state, where the antiferromagnetic superexchange is dominant.     

Multiferroic behavior in trimerized Mott insulators

We demonstrate multiferroic behavior in trimerized Mott insulators through the interplay between spins and electric dipole moments resulting from electronic charge fluctuations in frustrated units. The model consists of stacked triangular layers of trimers with small intertrimer exchange interactions J' and J'. Ferroelectric states coexist with ferro- or antiferromagnetic orderings depending on the value of the magnetic field H and the sign of the interlayer exchange J'. The electric polarization undergoes abrupt changes as a function of H.     

Distortions of magnetic order parameters due to “charged” edges of atomic steps at the ferromagnet—antiferromagnet interface

Distortions of the magnetic order parameters due to the presence of uncompensated antiferromagnetic spins near the edges of atomic steps at the interface between the ferromagnetic film and the antiferromagnetic substrate with compensated atomic planes parallel to the interface have been studied. It has been demonstrated that such “charged” linear defects do not give rise to domains in the film or substrate, as was suggested in some models of the exchange bias. The cases of large and small strengths of random fields arising due to the presence of uncompensated spins near the step edges have been investigated.     

Two-staged magnetoresistance driven by the Ising-like spin sublattice in SrCo6O11

A two-staged, uniaxial magnetoresistive effect has been discovered in SrCo6O11 having a layered hexagonal structure. Conduction electrons and localized Ising spins are in different sublattices but their interpenetration makes the conduction electrons sensitively pick up the stepwise field dependence of magnetization. The stepwise field dependence suggests two competitive interlayer interactions between ferromagnetic Ising-spin layers, i.e., a ferromagnetic nearest-layer interaction and an antiferromagnetic next-nearest-layer interaction. This oxide offers a unique opportunity to study nontrivial interplay between conduction electrons and Ising spins, the coupling of which can be finely controlled by a magnetic field of a few Tesla.     

Magnetic ordering in CuO from first principles: a cuprate antiferromagnet with fully three-dimensional exchange interactions

We investigate the interplay of bonding and magnetism in CuO by a first-principles self-interaction-free density-functional approach. Our analysis reveals that, at variance with typical low-dimensional cuprates, a fully three-dimensional view of the exchange interactions is needed to describe accurately the magnetic ground state and low-energy excitations in CuO. The apparent one-dimensional behavior of antiferromagnetic order is due to the presence of a single spin-polarized hole of d(z)2 character. This induces a strongly anisotropic magnetic ordering built up by ferromagnetic (x,y) layers, and antiferromagnetic chains along z, with exchange interactions of similar magnitude.     

Temperature Dependence of Exchange Bias and Coercivity in Ferromagnetic Layer Coupled with Polycrystalline Antiferromagnetic Layer

The temperature dependence of exchange bias and coercivity in a ferromagnetic layer coupled with an antiferromagnetic layer is discussed. In this model, the temperature dependence comes from the thermal instability of the system states and the temperature modulated relative magnetic parameters. Morever, the thermal fluctuation of orientations of easy axes of antiferromagnetic grains at preparing has been considered. From the present model, the experimental results can be illustrated qualitatively for available magnetic parameters. Based on our discussion, we can conclude that soft ferromagnetic layer coupled by hard antiferromagnetic layer may be very applicable to design magnetic devices. In special exchange coupling, we can get high exchange bias and low coercivity almost independent of temperature for proper temperature ranges.     

First-principles study on the electronic structures of iron phthalocyanine monolayer

The electronic band structure and magnetic properties of iron phthalocyanine (FePc) monolayer were investigated by using the first-principles all-electron full-potential linearized augmented plane wave energy band method. It is found that the ferromagnetic FePc monolayer is energetically more stable than the paramagnetic one. The exchange interaction, which splits the majority and minority bands, influences strongly on the electronic structure near the Fermi level (E_F). Magnetic moment of the central Fe atom is calculated to 1.95 μ_B. The range of the positive polarization of Fe site is larger in the out-of-plane than in the in-plane direction. The FePc ligand remains paramagnetic. The presence of states at E_F indicates the metallic character of FePc monolayer both for the paramagnetic and ferromagnetic states. However, the large density of states at E_F of the majority spins in the ferromagnetic state is expected to cause a phase transition to insulating antiferromagnetic state from the metallic ferromagnetic one.