Quantum anisotropic Heisenberg triangular antiferromagnet: application to CsCuCl3

Triangular anisotropic Heisenberg antiferromagnet shares with the triangular planar antiferromagnet the rich phenomenology found in presence of an external magnetic field. The physical interest in the triangular Heisenberg model is obvious because the planar model has not the quantum analogous one and, more seriously, it does not allow out-of-plane fluctuations so that it provides a very rough representation of actual magnetic insulators. Indeed, we show that magnetic resonance data on CsCuCl₃ are satisfactorily understood on the basis of the properties of the quantum triangular Heisenberg antiferromagnet with easy-plane exchange anisotropy.     

Theoretical simulations of magnetic nanotubes using Monte Carlo method

We present the results of the Monte Carlo simulations of magnetic nanotubes, which are based on the plane structures with the square unit cell at low temperatures. The spin configurations, thermal equilibrium magnetization, magnetic susceptibility and the specific heat are investigated for the nanotubes of different diameters, using armchair or zigzag edges. The dipolar interaction, Heisenberg model interaction and also their combination are considered for both ferromagnetic and anti-ferromagnetic cases. It turns out that the magnetic properties of the nanotubes strongly depend on the form of the rolling up (armchair or zigzag). The effect of dipolar interaction component strongly manifests itself for the small radius nanotubes, while for the larger radius nanotubes the Heisenberg interaction is always dominating. In the thermodynamic part, we have found that the specific heat is always smaller for the nanotubes with smaller radii.     

Structural,electronic and magnetic properties of the (001), (110) and (111) surfaces of rocksalt sodium sulfide: A first-principles study

First principles study of the structural, electronic and magnetic properties of the (111), (110) and (001) surfaces of rocksalt sodium sulfide (rs-NaS) are reported. The results show that the bulk half-metallicity of this compound is well preserved on the surfaces considered here except for Na-terminated (111) surface. The spin-flip gap at the S-terminated (111), (001) and (110) surfaces are close to the bulk value. Using ab-initio atomistic thermodynamics, we calculate the surface energies as a function of chemical potential to find the most stable surface. We find that the Na-terminated (111) surface is the most stable one over the whole allowed range of chemical potential, while the surface energies of the (001) and (110) surfaces approach the most stable surface energy at the sulfur rich environment. We have also calculated the interlayer exchange interaction in bulk and Na-terminated (111) surface by classical Heisenberg model and we found that the surface effects do not change these kinds of interactions significantly.     

Magnetisation of isolated single crystalline Fe-nanoparticles measured by a ballistic Hall micro-magnetometer

We present here the first magnetisation measurements on isolated single crystalline Fe-nanoparticles performed with a ballistic Hall micro-magnetometer. The measurements have a sensitivity of and thus provide us the possibility to study the mechanisms of magnetisation reversal in a single nanoparticle. The magnetic properties of the nanoparticles are influenced by their crystal structure and shape, and the presence of an oxide surface layer. They exhibit curling of the magnetic moments, but also a novel hysteresis behaviour. The spin configurations found for the system agree well with numerical calculations based on a Heisenberg Hamiltonian including the exchange and dipole interaction and surface anisotropy. Received: 1st September 1998 and Received in final form 21 June 1999     

Many-body Green's function theory for the magnetic reorientation of thin ferromagnetic films

The field-induced reorientation of the magnetization of ferromagnetic films is treated within the framework of many-body Green's function theory by considering all components of the magnetization. We present a new method for the calculation of expectation values in terms of the eigenvalues and eigenvectors of the equations of motion matrix for the set of Green's functions. This formulation allows a straightforward extension of the monolayer case to thin films with many layers and for arbitrary spin and moreover provides a practicable procedure for numerical computation. The model Hamiltonian includes a Heisenberg term, an external magnetic field, a second-order uniaxial single-ion anisotropy, and the magnetic dipole-dipole coupling. We utilize the Tyablikov (RPA) decoupling for the exchange interaction terms and the Anderson-Callen decoupling for the anisotropy terms. The dipole coupling is treated in the mean-field approximation, a procedure which we demonstrate to be a sufficiently good approximation for realistic coupling strengths. We apply the new method to monolayers with spin and to multilayer systems with S=1. We compare some of our results to those where mean-field theory (MFT) is applied to all interactions, pointing out some significant differences. Received 19 June 2000 and Received in final form 2 August 2000     

The origin of nuclear magnetism in solid He films: determination of multi-spin exchange frequencies

Solid ³He films adsorbed on graphite display remarkable magnetic properties due to quantum exchange, reduced dimensionality and frustration. We discuss the relevance of the multiple spin exchange Hamiltonian to describe these systems. Our high precision NMR data and the results of heat capacity measurements performed in other laboratories allow us to unambiguously determine the most significant multi-spin exchange frequencies. This result gives a quantitative understanding of the thermodynamical properties of solid ³He films, explaining the evolution from a pure Heisenberg behavior at high areal densities to a novel spin liquid state at low coverages.     

Splitting of the zone-center phonon in MnO and NiO

We develop a model based on the superexchange interaction and the Heisenberg Hamiltonian to understand the zone-center transverse optical (TO) phonon splittings in the late transition-metal oxides with type-II antiferromagnetic ordering. Even for a cubic rocksalt lattice, the anisotropic magnetic coupling due to the non-cubic distribution of the spin density can produce a splitting of the TO phonon energies. To calculate these splittings for MnO and NiO, we apply a recently implemented LSDA+U method based on a pseudopotential plane-wave formalism and obtain results for both MnO and NiO which are consistent with our model predictions. The calculated splitting for MnO is in excellent agreement with a recent experiment, while the result for NiO appears to be inconsistent with current experimental results and entails further investigation.     

Magnetic properties and concurrence for fluid 3He on kagome lattice

We present the results of magnetic properties and entanglement for kagome lattice using Heisenberg model with two- and three-site exchange interactions in strong magnetic field. Kagome lattice correspond to the third layer of fluid ³He absorbed on the surface of graphite. The magnetic properties and concurrence as a measure of pairwise thermal entanglement are studied by means of variational mean-field like treatment based on Gibbs-Bogoliubov inequality. The system exhibits different magnetic behaviors depending on the values of the exchange parameters (J ₂, J ₃). We have obtained the magnetization plateaus at low temperatures. The central theme of the paper is comparing the entanglement and magnetic behavior for kagome lattice. We have found that in the antiferromagnetic region behavior of the concurrence coincides with the magnetic susceptibility one.     

Spontaneous SU(2) symmetry breaking in one-dimensional quantum antiferromagnet

We present a Bethe Ansatz based investigation of a one-dimensional (1D) Heisenberg spin chain in a real 3D crystal lattice. We have shown that due to an influence of the lattice distortion on a crystalline field of ligands of magnetic ions, a Heisenberg antiferromagnetic spin chain is unstable under the appearance of a magnetic anisotropy of the “easy-plane” type. The effects of an external magnetic field and nonzero temperature onto such a phase transition are studied. Received: 19 January 1998 / Revised: 16 March 1998 / Accepted: 17 March 1998     

Magnetic phase diagram of single-layer CrBr3

We theoretically provide a magnetic phase diagram for the single-layer (SL) CrBr₃, which could be effectively tuned by both strain engineering and charge doping in SL-CrBr₃. Through systematical first-principles calculations and Heisenberg model Hamiltonian simulations, three different magnetic phases in SL-CrBr₃, which are off-plane ferromagnetic, in-plane ferromagnetic and in-plane Néel-antiferromagnetic phases, are found in the strain and charge doping regimes we studied. Furthermore, our results show that higher order Heisenberg exchange parameters and anisotropy exchange parameters should be taken into account for accurately illustrating the magnetic phase transition in SL-CrBr₃. As a result, we find from the SpinW simulation that the Curie temperature is about T_c=38.4 K, which is well consistent with the experimental result 34 K[Nano Lett. 19 3138 (2019)]. The findings here may be confirmed in future experiments, and may be useful for the potential applications of SL-CrBr₃ in spintronics field.     

Magnetism of Rare-Earth Compounds with Non-Magnetic Crystal-Field Ground Levels

Among rare-earth compounds, there are many materials having non-magnetic crystal-field （CF） ground levels. To understand their magnetic behaviour at low temperatures, we study the effects of the CF levels and the Heisenberg-like coupling on the magnetic process of such a crystalline with mean-field and CF theory. It is found that the material can be magnetically ordered if the Heisenberg exchange is sufficiently strong. Additionally we obtain a condition for initial magnetic ordering, and derive a formula for estimating the Curie temperature if the ordering occurs.     

Thermodynamic properties of magnetic bilayers

Two models of magnetic bilayers are presented both based on the Heisenberg model. In the first case of ferromagnetically ordered ferromagnetically coupled planes of S=1 the anisotropy is of easy plane/axis type, while in the study of antiferromagnetically ordered antiferromagnetically coupled planes of S=1/2, the anisotropy is of XXZ type. Both systems are treated by Green's function method, which consistently applied within Random Phase Approximation lead to excitation energies and the system of equations for order parameters which can be solved numerically and which satisfies both Mermin-Wagner and Goldston theorem in the corresponding limit and also agrees with the Mean Field results. The basic result is that the transition temperature for magnetic dipole order parameter is unique for both planes. The results are compared with previous theoretical and experimental results.     

A generalized spin ladder in a magnetic field

We study the phase diagram of coupled spin-1/2 chains with bilinear and (chiral) three-spin exchange interactions in a magnetic field. The model is soluble on a one-parametric line in the space of coupling constants connecting the limiting cases of a single and two decoupled Heisenberg chains with nearest neighbour exchange only. We give a complete classification of the low-energy properties of the integrable system and introduce a numerical method which allows to study the possible phases of spin ladder systems away from the soluble line in a magnetic field. Received 17 November 1998 and Received in final form 22 January 1999     

Magnetic and thermodynamic properties of DyFe2Si2 further investigated with crystal-field theory and two-ion model

We report our theoretical studies on the magnetic and thermodynamic properties of DyFe₂Si₂ using the crystal-field parameters (CFPs) proposed by Chatterji et al. recently [1]. Our calculated magnetization and magnetic specific heat curves obtained with the above CFPs based on the two-ion model we developed recently show reasonable agreement with the experimental data.     

Magnetic behavior of a spin-1 dimer: model system for homodinuclear nickel(II) complexes

Magnetic behavior of a spin-1 Heisenberg dimer is analysed in dependence on the both uniaxial single-ion anisotropy and XXZ exchange anisotropy in a zero- as well as non-zero longitudinal magnetic field. A complete set of eigenfunctions and eigenvalues of the total Hamiltonian is presented together with an exact analytical expression for the Gibbs free energy, longitudinal magnetization, longitudinal and transverse susceptibility. The obtained theoretical results are compared with the relevant experimental data of [Ni₂(Medpt)₂(μ-ox)(H₂O)₂](ClO₄)₂·2H₂O (Medpt=methyl-bis(3-aminopropyl)amine).     

Spin structure factors and valence-bond-solid states of the trimerized Heisenberg chains in a magnetic field

By means of the density matrix renormalization group (DMRG) method, the static spin structure factors and the magnetization plateaus of the trimerized Heisenberg ferromagnet-ferromagnet-antiferromagnet and antiferromagnet-antiferromagnet-ferromagnet spin chains in the presence of a magnetic field are elaborately studied. It is found that in the plateau states, the static structure factor with three peaks does not vary with the external magnetic field as well as the exchange couplings; the spin correlation function behaves as a perfect sequence and has a simple relation with the magnetization per site. An approximate wave function for the plateau states is proposed, and a picture based on the valence-bond-solid states is presented in order to understand the origin and the total number of the magnetization plateaus, which are shown to be in agreement with the DMRG results.     

磁性金属材料中交换耦合作用和自旋波的研究

基于交换耦合理论通常使用的近似分析的一般原理, 严格的分析了没有特定假设情况下的磁序范围或有关磁化密度的形式, 及在任何近似下提出一种关于耦合参数的计算方法. 并结合铁磁系统(磁性金属材料Gd, Fe, Ni), 定量的讨论了这种关系的适用范围, 也对自旋波和交换耦合进行了相关分析. 分析表明: 对于近邻磁性原子之间的交换耦合的计算以及在有限波矢量情况下对自旋波谱的计算都得到较为有意义的改进. 提出的交换耦合近似及自旋波谱的关系, 应用于铁磁系统时对近邻原子之间相互作用能给出较好的描述, 或对任何磁体中非完全局域磁化的自旋波谱较大波矢部分给出较合理的描述. 从磁性理论来看, 按照本文模型应用于磁学系统计算得到的结果与实验结果较好的符合.     

The paramagnetic properties of one-dimensional spin-1 single-ion anisotropic ferromagnet

One-dimensional single-ion anisotropic ferromagnet with spin-1 is investigated by means of Green's function treatment in this paper. The model Hamiltonian includes a Heisenberg ferromagnetic term, an external magnetic field, and a second-order single-ion anisotropy. The magnetic properties of the system are treated by the random phase approximation for the exchange interaction term and the Anderson-Callen approximation for the anisotropy term. Our paramagnetic results are in agreement with the other theoretical results.     

Theoretical estimates for proton-NMR spin–lattice relaxation rates of heterometallic spin rings

Heterometallic molecular chromium wheels are fascinating new magnetic materials. We reexamine the available experimental susceptibility data on MCr₇ wheels in terms of a simple isotropic Heisenberg Hamiltonian for M=Fe, Ni, Cu, and Zn and find in that FeCr₇ needs to be described with an iron–chromium exchange that is different from all other cases. In a second step we model the behavior of the proton spin lattice relaxation rate as a function of applied magnetic field for low temperatures as it is measured in nuclear magnetic resonance (NMR) experiments. It appears that CuCr₇ and NiCr₇ show an unexpectedly reduced relaxation rate at certain level crossings.     

Effect of the surface anisotropy and the shape on the magnetization behavior in an egg-shaped nanoparticle

Using the classical Heisenberg model and Monte Carlo simulation, we compute the magnetization behavior of a ferromagnetic nanoparticle with an egg-shape in an external magnetic field along the symmetry axis. The particle is in a single-domain state with a surface anisotropy axis perpendicular to the surface of the particle. At low temperature, it is found that exchange bias appears in the hysteresis loop, which does not exist in the spherical and ellipsoidal nanoparticles. The bias field produced by the frozen spins on the surface of the egg-shaped nanoparticle may be the reason to produce the phenomenon of the exchange bias.