Ground state phase diagrams for the mixed Ising 3/2 and 5/2 spin model

We calculate the ground state phase diagrams of a mixed Ising model on a square lattice where spins S (± 3/2, ± 1/2) in one sublattice are in alternating sites with spins Q (± 5/2, ± 3/2, ± 1/2), located on the other sublattice. The Hamiltonian of the model includes first neighbor interactions between the S and Q spins, next-nearest-neighbor interactions between the S spins, and between the Q spins, and crystal field. The topologies of the phase diagrams depend on the values of the parameters in the Hamiltonian. The diagrams show some key features: coexistence between regions, points where two, three, four, five and six states can coexist. Besides being very useful as a way to check the low temperature limit of the finite-temperature phase diagram, often obtained by mean-field theories, the richness of the ground state diagrams for certain combinations of parameters can be used as a guide to explore interesting regions of the finite-temperature phase diagram of the model.     

Construction of phase diagrams for nanoscaled Ising thin films on the honeycomb lattice using cellular automata simulation approach

The phase diagrams of the three-layer Ising model on the honeycomb lattice with a diluted surface have been constructed using the probabilistic cellular automata based on Glauber algorithm. The effects of the exchange interactions on the phase diagrams have been investigated. A general mathematical expression for the critical temperature is obtained in terms of relative coupling r = J₁/J and Δ_s = (J_s/J) ? 1, where J and J_s represent the nearest neighbor coupling within inner- and surface-layers, respectively, and each magnetic site in the surface-layer is coupled with the nearest neighbor site in the inner-layer via the exchange coupling J₁. In the case of antiferromagnetic coupling between surface-layer and inner-layer, system reveals many interesting phenomena, such as the possibility of existence of compensation line before the critical temperature.     

Random field effects on the phase diagrams of spin-1/2 Ising model on a honeycomb lattice

The Ising model with quenched random magnetic fields is examined for single Gaussian, bimodal and double Gaussian random field distributions by introducing an effective field approximation that takes into account the correlations between different spins that emerge when expanding the identities. Random field distribution shape dependence of the phase diagrams, magnetization and internal energy is investigated for a honeycomb lattice with a coordination number q=3. The conditions for the occurrence of reentrant behavior and tricritical points on the system are also discussed in detail.     

Magnetic properties of a hexagonal transverse Ising nanoisland

The magnetic properties of a hexagonal transverse Ising nanoisland have been calculated by the effective-field theory with correlations. The effects of surface coupling, interlayer coupling, and the competition between transverse fields at the surface shell and in the inner core on phase diagrams and magnetizations are examined. Meanwhile, the results are also compared with two different nanoislands which consist of two layers with nine atoms or five atoms in each of the layers.     

横向随机晶场Ising模型的相图和磁化行为研究

在有效场理论和切断近似框架内，选择自旋S=1的二维方格子，研究横向随机晶场Ising模型的相图和磁化行为，重点是横向随机晶场浓度和晶场比率对相图和磁化的影响.给出了i>T-D_x空间的相图和m-T空间的磁化图.在晶场稀疏情况下，负晶场方向存在临界温度的峰值，正方向可出现重入现象.晶场比率取+0.5和-0.5时，磁有序相范围缩小，特别是晶场比率取-0.5时，随晶场浓度的降低，临界温度峰值从横向晶场负方向渡越到正方向.固定某一负晶场值，不同晶场比率的磁化行为有明显差异.同时与纵向稀疏晶场Ising模型结果进行有意义的比较. 关键词： 横向随机晶场Ising模型 相图 磁化行为     

Phase diagrams in an ultra-thin spin-1 transverse Ising film with bond or site dilution at surfaces

The phase diagrams of two nanoscaled thin films with bond and site dilutions at the surfaces, described by the spin-1 transverse Ising model, are investigated by the use of an effective field theory with correlations. A number of characteristic phenomena have been found in them, which are heavily dependent on the ratios (r = J₁/J and p = Ω_S/Ω, where J is the exchange interaction in the inner layer, J₁ is the exchange interaction between the surface and the next inner layer, Ω_S is the transverse field at the surfaces and Ω is the transverse field in the inner layer). Some of them have exhibited very similar behaviors found in the two spin-1/2 nanoscaled thin films with bond and site dilutions at the surfaces.     

The temperature-dependent phase diagrams of the spin-3/2 Ising model on a FM/AFM two-layer lattice with a crystal field

The temperature-dependent phase diagrams of the spin-3/2 Ising model on a two-layer Bethe lattice with ferromagnetic (FM)/antiferromagnetic (AFM) intra-layer and either FM or AFM type inter-layer interactions are investigated under a constant magnetic field (H) and in the presence of a crystal field (D) by using exact recursion equations in a pairwise approach for coordination numbers q=3,4 and 6, in detail. In the light of the ground-state (GS) phase diagrams, the temperature-dependent phase diagrams of the model are obtained by studying the thermal variations of the order parameters, response functions and free energy. Then, they are illustrated on the (kT/J₁,J₃/J₁) and (kT/J₁,J₂/J₁) planes for the given system parameters. It is observed that the system exhibits first- and second-order phase transitions for all q values, and hence, in some cases, tricritical points. The existence of critical-end points and that of isolated points are also observed. The re-entrant behavior owes its presence to the two Néel temperatures, T_N, that are present for all q.     

直接相关函数对双模晶体相场模型相图的影响

研究了直接相关函数峰宽及 k=0处峰对双模晶体相场模型相图的影响. 结果表明, 随着峰宽的增加, 有序相的相区范围不断增大. 而增大峰宽比可使体心立方(bcc)相区范围缩小, 面心立方(fcc)相区范围大幅增加.直接相关函数 k=0峰的引入则使相图被压缩, 两相共存区变窄, 液相稳定区域增加. 关键词： 晶体相场模型 双模近似 相图 直接相关函数     

Investigation of phase diagrams for cylindrical Ising nanotube using cellular automata

Recent developments in the field of applied nanoscience and nanotechnology have heightened the need for categorizing various characteristics of nanostructures. In this regard, this paper establishes a novel method to investigate magnetic properties (phase diagram and spontaneous magnetization) of a cylindrical Ising nanotube. Using a two-layer Ising model and the core-shell concept, the interactions within nanotube has been modelled. In the model, both ferromagnetic and antiferromagnetic cases have been considered. Furthermore, the effect of nanotube's length on the critical temperature is investigated. The model has been simulated using cellular automata approach and phase diagrams were constructed for different values of inter- and intra-layer couplings. For the antiferromagnetic case, the possibility of existence of compensation point is observed.     

Effective field investigation of dynamic phase transitions for site diluted Ising ferromagnets driven by a periodically oscillating magnetic field

Dynamic behavior of a site diluted Ising ferromagnet in the presence of a periodically oscillating magnetic field has been analyzed by means of the effective field theory (EFT). The dynamic equation of motion has been solved for a honeycomb lattice (z=3$z=3$) with the help of a Glauber type stochastic process. The global phase diagrams and the variation of the corresponding dynamic order parameter as a function of the Hamiltonian parameters and temperature has been investigated in detail and it has been shown that the system exhibits reentrant phenomena, as well as a dynamic tricritical point which disappears for sufficiently weak dilution.     

Dynamic phase transitions in the kinetic mixed spin-1/2 and spin-5/2 Ising model under a time-dependent oscillating magnetic field

We calculate the dynamic phase transition (DPT) temperatures and present the dynamic phase diagrams in the kinetic mixed spin-1/2 and spin-5/2 Ising model under the presence of a time-dependent oscillating external magnetic field. We employ the Glauber transition rates to construct the set of mean-field dynamic equations. The time variation of the average magnetizations and the thermal behavior of the dynamic magnetizations are investigated, extensively. The nature (continuous or discontinuous) of the transitions is characterized by studying the thermal behaviors of the dynamic magnetizations. The DPT points are obtained and the phase diagrams are presented in two different planes. Phase diagrams contain four fundamental phases and three coexistence or mixed phases, which strongly depend on interaction parameters. The phase diagrams are discussed and a comparison is made with the results of the other mixed spin Ising systems.     

Approximate calculations for the two-dimensional Ising model

A self-consistent molecular field approximation for the two-dimensional, square-lattice Ising model is used to calculate the energy and magnetization. Agreement with the exact calculations is good except near the critical temperature, which differs from the exact critical temperature by 4%. The specific heat has no anomalous behavior asT approachesT _c from above, and the magnetization follows the incorrect Weiss (T _c-T)^1/2 law asT approachesT _c from below.     

The phase diagrams of a spin-1 transverse Ising model

The phase diagrams of the spin-1 transverse Ising model with the presence of a crystal field is investigated by using an effective-field theory (EFT). We give a method to calculate the Gibbs free energy numerically at finite temperature within the EFT. The first-order transition lines are obtained by comparing the Gibbs free energy. The phase diagrams and the Gibbs free energy are also compared with those given using the mean-field theory (MFT).     

High pressure phase diagrams of binary lanthanide alloys between La,Ce and Pr

Abstract

In comparison with the “regular” binary alloy phase diagrams between “regular” trivalent lanthanide metals, binary intralanthanide alloys of Ce exhibit many irregularities typical for Ce under pressure due to its f electron delocalization. For comparison with the La-Ce and Ce-Pr high pressure phase diagrams also the more regular La-Pr data are presented for the pressure range up to 40GPa.     

Effects of the bond dilution on the phase diagrams of a spin-1 transverse Ising model with crystal field interaction on a honeycomb lattice

A bond diluted spin-1 Ising model with crystal and transverse field interactions is examined for honeycomb lattice by introducing an effective field approximation that takes into account the correlations between different spins that emerge when expanding the identities. The effects of the crystal field as well as the transverse field and dilution on the phase diagrams and order parameter m_z are discussed in detail. A number of interesting and unusual phenomena such as reentrant phenomena and three successive phase transitions originating from the crystal field as well as the transverse field and bond dilution have been found.     

Influence of atomic size mismatch on binary alloy phase diagrams

Abstract

The aim of this paper is to investigate the consequences of atomic size mismatch on the thermodynamics and the topology of binary phase diagrams of face centred cubic alloys. Simple pairwise interatomic potentials with few controlling parameters are used to identify general tendencies. Thermodynamic states are computed by Monte Carlo simulations on a non-rigid lattice. A special attention has been paid to the comparison between calculations in the canonical ensemble, where composition–temperature phase diagrams are determined through van der Waals loops, and in the grand canonical ensemble, where phase diagrams are computed using an interface migration technique. It is shown that these two procedures lead essentially to the same incoherent phase diagram. In the case of phase separating systems, we argue that the introduction of a size mismatch leads to a shrinkage of the solid solution domain and that the asymmetry of the miscibility gap is essentially controlled by the anharmonicity of the heteroatomic potential. Finally, in the case of ordering systems, we show that the asymmetry of the phase diagram may be due to the anharmonicity of the pair potentials or to the differences between their curvatures, the former effect being dominant if the atomic size mismatch is large.     

Magnetization and magnetic phase diagrams of a spin-1/2 ferrimagnetic diamond chain at low temperature

We used the Jordan–Wigner transform and the invariant eigenoperator method to study the magnetic phase diagram and the magnetization curve of the spin-1/2 alternating ferrimagnetic diamond chain in an external magnetic field at finite temperature. The magnetization versus external magnetic field curve exhibits a 1/3 magnetization plateau at absolute zero and finite temperatures, and the width of the 1/3 magnetization plateau was modulated by tuning the temperature and the exchange interactions. Three critical magnetic field intensities H_(CB), H_(CE) and H_(CS) were obtained, in which the H_(CB) and H_(CE) correspond to the appearance and disappearance of the 1/3 magnetization plateau, respectively, and the higher H_(CS) correspond to the appearance of fully polarized magnetization plateau of the system. The energies of elementary excitation ωσ,k(σ = 1, 2, 3) present the extrema of zero at the three critical magnetic fields at 0 K, i.e., [hω_(3,k)(HCB)]_(min)= 0, [hω_(2,k)(H_(CE))]_(max)= 0 and [hω _(2,k)(H_(CS))]_(min)= 0, and the magnetic phase diagram of magnetic field versus different exchange interactions at 0 K was established by the above relationships. According to the relationships between the system's magnetization curve at finite temperatures and the critical magnetic field intensities, the magnetic field-temperature phase diagram was drawn. It was observed that if the magnetic phase diagram shows a three-phase critical point, which is intersected by the ferrimagnetic phase, the ferrimagnetic plateau phase, and the Luttinger liquid phase, the disappearance of the1/3 magnetization plateau would inevitably occur. However, the 1/3 magnetization plateau would not disappear without the three-phase critical point. The appearance of the 1/3 magnetization plateau in the low temperature region is the macroscopic manifestations of quantum effect.     

三维Ising模型的蒙特卡罗模拟

采用蒙特卡罗(Monte Carlo)重点抽样法对三维Ising模型进行计算机模拟,测量无外磁场时三维Ising模型中自旋键链的能量、磁化强度、比热及磁化率的统计平均值与标准误差(不确定度).结果表明,三维Ising模型在无外磁场时存在自发磁化现象,铁磁→非铁磁相变临界点在J/(k_BT_C)=0.222 0,或居里温度T_C=4.500 0处.并研究存在外磁场时上述物理量随温度与外磁场的变化规律,给出物理解释.     

Incommensurability and metastability problems in NH4HSeO4 and ND4DSeO4: A reinvestigation of phase diagrams

Abstract

X-ray and neutron diffraction results on NH₄HSeO₄ and ND₄DSeO₄ are reported. Direct evidence of an incommensurate phase sandwiched between the monoclinic high-temperature phase (space group B2) and the low-temperature ferroelectric lock-in phase k = ? (space group P1) has been obtained in NH₄HSeO₄. The phase situation is more complicated in ND₄DSeO₄, where an incommensurate phase is found sandwiched between the B2 phase and a lock-in phase k = ¼ and where a phase in which several modulations coexist has been discovered in between the two lock-in phases k = ¼ and k = ?. The non-equilibrium processes, also present in ND₄DSeO₄, have been identified. All these results have clarified the situation about the phase diagram.