Role of rotational symmetry in magnetism of multiband models

The role of the complete Coulomb interaction matrix in the determination of the magnetic susceptibility of the two-band Hubbard model has been investigated in the dynamical mean-field theory. The off-diagonal component of the U-matrix has been found to reduce the Néel temperature, which agrees with the available experimental data. The magnitude of the effect upon a change in the dimension of the U-matrix is discussed. The results have been compared with the thermodynamic characteristics of an isolated Hubbard atom.     

Magnetism and phase separation in the ground state of the Hubbard model

We discuss the ground state magnetic phase diagram of the Hubbard model off half filling within the dynamical mean-field theory. The effective single-impurity Anderson model is solved by Wilson's numerical renormalization group calculations, adapted to symmetry broken phases. We find a phase separated, antiferromagnetic state up to a critical doping for small and intermediate values of U, but could not stabilize a Néel state for large U and finite doping. At very large U, the phase diagram exhibits an island with a ferromagnetic ground state. Spectral properties in the ordered phases are discussed. Received 9 January 2002 Published online 25 June 2002     

Theoretical study of magnetic susceptibility of orbitally unquenched compound KCoF3

The effect of residual orbital magnetic moment of Co²⁺ in KCoF₃ on the magnetic susceptibility has been studied. For the calculation for both the ordered state and the paramagnetic state we have applied the correlated effective field approximation developed by Lines. An excellent value of the Néel temperature is obtained and, except near the Néel temperature, the calculated susceptibility agrees well with the experimental results over the whole temperature range.     

High-pressure characteristics of α-Fe2O3 using DFT+U

We have calculated the structural, magnetic and electronic properties of corundum-type α-Fe₂O₃ from first principles using density-functional theory (DFT) and the DFT?+?U method to account for correlation effects in this material. Although the correct magnetic ground state is obtained by pure DFT, the magnetic moments and the band gap are too small, and the predicted structural phase transition coupled with a transition from the insulating high-spin to a metallic low-spin phase at a pressure of 14?GPa is not observed experimentally. We find that considering the Coulomb interaction directly by including a Hubbard-like term U in the density functional greatly improves the results with respect to band gap and magnetic moments. The phase transition is shifted to higher pressures with increasing values of U and disappears for U?>?3?eV. The best overall agreement of structural, magnetic and electronic properties with experimental data is obtained for U?=?4?eV.     

Hyperfine interaction of 181Ta in chromium

The hyperfine interaction of ¹⁸¹Ta diluted in chromium has been measured as a function of temperature by time-differential perturbed angular correlations. A quadrupole interaction which varies dramatically with temperature is present, superposing with a magnetic interaction below the Néel temperature.     

Spin excitations and thermodynamics of the antiferromagnetic Heisenberg model on the layered honeycomb lattice

We present a spin-rotation-invariant Green-function theory for the dynamic spin susceptibility in the spin-1/2 antiferromagnetic Heisenberg model on a stacked honeycomb lattice. Employing a generalized mean-field approximation for arbitrary temperatures, the thermodynamic quantities (two-spin correlation functions, internal energy, magnetic susceptibility, staggered magnetization, Néel temperature, correlation length) and the spin-excitation spectrum are calculated by solving a coupled system of self-consistency equations for the correlation functions. The temperature dependence of the magnetic (uniform static) susceptibility is ascribed to antiferromagnetic short-range order. The Néel temperature is calculated for arbitrary interlayer couplings. Our results are in a good agreement with numerical computations for finite clusters and with available experimental data on the β-Cu₂V₂O₂ compound.     

Quantum fluctuations in a two-dimensional antiferromagnet with four-spin interaction of cubic symmetry

The excitation spectrum of a non-Heisenberg 2D antiferromagnet with the four-spin interaction of cubic symmetry has been calculated in the first order of 1/2S. It has been shown that, for weak anisotropy, the Néel state is destroyed by quantum fluctuations. The phase diagrams showing the stability regions of the Néel phase in the space of spin-anisotropy parameters have been plotted.     

RbNiF3自旋波量子对的Raman散射谱理论分析

在温度由零度直到Néel温度的范围内讨论了RbNiF₃自旋波量子对的Raman散射谱。由一般的对称性原理及实验结果的分析导出磁性系统与辐射场相互作用哈密顿量的具体形式;应用推迟Green函数运动方程方法,得到散射截面的解析表达式;在自旋波量子对传播子中同时计入能量重正化和寿命的效应。最后,在适当的近似下用计算机作数值计算,在没有可调整参数的情况下得到了在Néel温度以下的Raman峰值位置和半宽度随温度的变化关系及各种温度下的Raman谱形,它们与实验结果符合得较好。 关键词：     

Anomalously strong relaxation of the polarization of muons in the magnetically ordered and paramagnetic states of the TbMnO<Subscript>3</Subscript> multiferroic

An anomalously strong relaxation of the muon polarization in a magnetically ordered state in the TbMnO₃ multiferroic has been revealed by the method below the μSR Néel temperature (42 K). Such a relaxation is due to the muon channel of relaxation of the polarization and the interaction of the magnetic moment of the muon with inhomogeneities of the internal magnetic field of an ordered state in the form of a cycloid. Above the Néel temperature, beginning with temperatures depending on the applied magnetic field, a two-phase state has been revealed where one phase has an anomalously strong relaxation of the muon polarization for a paramagnetic state. These features of the paramagnetic state are due to short-range magnetic order domains that appear in strongly frustrated TbMnO₃. A true paramagnetic state has been observed only at T ≥ 150 K.     

Temperature dependence of the infrared absorption spectrum of antiferromagnetic semiconductor MnTe

The temperature dependence of the phonon absorption band of MnTe, 154 cm^?1, is investigated and an anomalously large shift is observed near the Néel temperature. The frequency variation due to the volume change and the magnetic terms are estimated, the latter fraction being not less than ca. 40%.     

A theoretical study of the long-range-disorder mixed-spin antiferromagnet L2BaNiO5

In this paper, we introduce a quasi-one-dimensional S = 1 antiferromagnet Heisenberg model, and some physical properties of antiferromagnet L₂BaNiO₅ without antiferromagnet long-range-order above the Néel temperature are analyzed based on the frame of two-time Green’s function theory. In a high temperature region, we calculate the correlation functions, and obtain excitation spectrum along Ni chains and the Haldane gap in this spectrum versus temperature. We find that the short-range correlation still exists at high temperature, which leads to the existence of Haldane gap in excitation spectrum. The increment of excitation energy in the spectrum along the Ni chain is found to be induced by the AF interaction between spins of rare-earth and Ni ions. Additionally, we also find that Haldane gap goes up with temperature increasing.     

Anomalous resistivity near Néel temperature due to the critical scattering: Antifferomagnet

Critical behaviour of the temperature derivative of the electrical resistivity at the Néel temperature is treated. For a small Fermi wave vector, the divergence is the same as that of the specific heat both above and below the Néel temperature. For a large Fermi wave vector, in paramagnetic region, the contributions from the critical and the other regions of q-space are of the same divergence as the specific heat but of different signs from each other. Below Néel temperature, the gap effect is the main origin of divergence.     

Mean-field and high temperature series expansion calculations of some magnetic properties of Ising and XY antiferromagnetic thin-films

In this work,the magnetic properties of Ising and XY antiferromagnetic thin-films are investigated each as a function of N’eel temperature and thickness for layers(n = 2,3,4,5,6,and bulk(∞)) by means of a mean-field and high temperature series expansion(HTSE) combined with Pad’e approximant calculations.The scaling law of magnetic susceptibility and magnetization is used to determine the critical exponent γ,ν eff(mean),ratio of the critical exponents γ/ν,and magnetic properties of Ising and XY antiferromagnetic thin-films for different thickness layers n = 2,3,4,5,6,and bulk(∞).     

自旋波-声子耦合对反铁磁体红外吸收谱的影响

由于交换作用常数受到磁离子间距离变化的影响是不可忽略的,在磁有序物质中存在自旋波和声子的耦合作用。本文探讨了非金属反铁磁体中自旋波-声子耦合在红外吸收谱上可能有的表现,辐射场的电偶极矩作用在激发一个光频支声子的同时,通过自旋波-声子耦合又激发两个自旋波和一个声子,这就在晶格吸收谱的高频边缘以外形成附加吸收带。当反铁磁体的Néel点足够高,并且自施波态密度有尖锐的极大值时,附加吸收带就有超出晶格吸收边缘足够大的能量,且有明显的峯形,上述吸收峯就应在实验上观测到。把这一结果应用于NiO,解释了它的红外光谱中0.24电子伏的附加吸收峯,计算得到与实验相符合的吸收能量和吸收强度,并指出这一吸收机构只能在反铁磁体中而不能在铁磁体中发生。本文最后指出,Mizuno和Koide在企图解释同一现象的工作中,所探讨者相对于本文所考虑的跃迁机构,它只可能产生极其次要的贡献。     

A study of the conduction mechanism of single crystal Li0.5Fe2.5O4 through the transition points

The differential thermal analysis, electrical resistivity and thermopower are studied as a function of temperature in the range 300–1100 K. The measurements show two transition points at 905 and 1030 K. The first point is linked with the magnetic transition at the Néel temperature (T_N), and the second with the order-disorder phase. The conduction mechanism through the Néel point is discussed using the spin polaron model.     

Effect of the orbital ordering on the transport and magnetic properties of MnSe and MnTe

This paper reports on the results of measurements of the conductivity in MnSe and MnTe polycrystalline samples under thermal cycling in the temperature range 80 < T < 300 K in magnetic fields of up to 5 kOe. Manganese selenide MnSe is found to exhibit a magnetoresistive behavior below the Néel temperature. The specific features revealed in the temperature dependences of the magnetic susceptibility and the electrical resistivity in some temperature ranges are accounted for in terms of magnetic ordering, which is mediated by the interaction of the pseudoorbital moments with spins.     

Magnetic properties of undoped YBa 2 Cu 3 O 6 + x system

In the present paper, we study the magnetic properties of bilayer cuprate antiferromagnets. In order to evaluate the expressions for spin-wave dispersion, sublattice magnetization, Néel temperature and the magnetic contribution to the specific heat, the double time Green's function technique has been employed in the random phase approximation (RPA). The spin wave dispersion curve for a bilayer antiferromagnetic system is found to consist of one acoustic and one optic branch. The “optical magnon gap” has been attributed solely to the intra-bilayer exchange coupling (J _⊥ ) as its magnitude does not change significantly with the inter-bilayer exchange coupling (J_z). However J_z is essential to obtain the acoustic mode contribution to the magnetization. The numerical calculations show that the Néel temperature (T _N ) of the bilayer antiferromagnetic system increases with the J_z and a small change in J_z gives rise to a large change in the Néel temperature of the system. The magnetic specific heat of the system follows a T² behaviour but in the presence of J_z it varies faster than T². Received 13 July 2000 and Received in final form 14 May 2001     

Optical investigation of metamagnetic DyAlO3

We have investigated the optical absorption spectra of metamagnetic DyAlO₃ (T _N =3.4 °K) above and below the Néel temperature. We find that the magnetic interactions are predominantly between the ions along the crystallographicc-axis; the interaction energy between two ions isW _C =? (2.9±0.6) cm^?1. Additional line-shifts below 3.4 °K yield the Néel temperature. Zeeman effect studies give the magnetic moment of the groundstate as μ=(9.2 ± 0.9)μ _B . The direction of the magnetic moments is in thea-b plane, with angles of ± 33.5° and ± 146.5° from theb-axis. The Zeeman effect studies reveal two metamagnetic transitions (forH _ext∥μ) at 7.0 and 7.3 kOe respectively. Additional susceptibility and Mössbauer measurements confirm the Néel temperature and the magnetic moment.     

On the dynamics of the Heisenberg antiferromagnet atT N

The dynamic spin autocorrelation function of the Heisenberg antiferromagnet with isotropic interaction is calculated numerically at the Néel temperature in the hydrodynamic limit.     

Specific features of local structural,valence, and magnetic states of iron ions in the perovskite Bi0.5Ca0.5FeO3

The perovskite Bi_0.5Ca_0.5FeO₃ has been investigated using the Mössbauer effect at temperatures of 295 and 675 K. The measured temperature of the magnetic phase transition (Néel temperature) is T _N = 640 ± 10 K. Above the Néel temperature, there are two nonequivalent structural states of iron ions. In the perovskite Bi_0.5Ca_0.5FeO₃ at room temperature, there are seven most probable nonequivalent magnetic states of iron ions with significantly different values of the hyperfine interaction parameters. Four iron states correspond to Fe³⁺ ions in the octahedral oxygen environment, and three iron states correspond to Fe³⁺ ions in the tetrahedral oxygen environment.