Spin susceptibilities and the theory of itinerant-electron antiferromagnetism

This article investigates the equilibrium states of antiferromagnetic itinerant-electron systems in the Hartree-Fock approximation. As a result, the spin susceptibilities are determined in the random phase approximation. The lowlying collective excitations are then obtained by finding the poles of these susceptibilities.

We start by giving a brief review of the Hartree-Fock procedure and by indicating how the susceptibilities are obtained. The density matrix approach, where the ground state is interpreted as that minimizing the energy, is used throughout. Using an effective Coulomb interaction of the Hubbard type we consider two distinct systems: a one-band system with an incommensurate spin density wave in its ground state, and a many-band simply commensurate model for f.c.c. manganese.

The first of these is such that the band structure and resulting susceptibilities can be obtained explicitly. The spin-wave energies and wave-vectors are found by a careful, small energy and momentum transfer, expansion of these susceptibilities for the case of a parabolic band. The spin-wave damping, which is shown to arise from spin-wave decay into quasiparticle quasihole pairs, is also obtained for this band structure.

For the case of f.c.c. manganese the antiferromagnetic bands are obtained from a realistic 9-band paramagnetic model by using a many-band generalization of the Hubbard interaction. The enhanced spin susceptibilities are calculated, using the tetrahedral Brillouin zone integration method, and are presented along with their associated collective excitations. The results obtained are discussed with particular reference to the many-band effects. These effects are shown to be very much dependent on the particular form of interaction used.     

Green’s function approach to the low temperature properties of Cs<Subscript>2</Subscript>CuCl<Subscript>4</Subscript>: anisotropy effects

We have studied the effect of both axial and transverse anisotropy on the critical field and thermodynamic properties of the field induced three dimensional antiferromagnetic Heisenberg model on the frustrated hexagonal lattice for Cs₂CuCl₄ compound. The spin model is mapped to a bosonic one with the hard core repulsion constraint and the Green’s function approach has been implemented to get the low energy spectrum and the corresponding thermodynamic properties. To find the critical field (B _c ) we have looked for the Bose-Einstein condensation of quasi-particles (magnons) which takes place when the magnon spectrum vanishes at the ordering spiral wave vector. We have also obtained the dispersion of magnon spectrum in the critical magnetic field for each anisotropy parameter to find the spiral wave vector where the spectrum gets its minimum. The magnon energies show a linear dispersion relation close to the quantum critical point. The effect of hard core boson interaction on the single particle excitation energies leads to a temperature dependence of the magnon spectrum versus magnetic field. We have also studied the behavior of specific heat and static structure factor versus temperature and magnetic field.     

A remark on an anomaly of the spin-wave spectrum in spiral spin structures

It is shown that magnetic dipolar interaction gives rise to a discontinuity in the magnon dispersion relation for antiferromagnetic spiral spin structures. Some numerical results for the magnon energy in dysprosium are presented.     

A study on defect formation and magnetic properties of nitrogen-doped ZnO nanowires by the first principles

Theoretical calculation based on density functional theory (DFT) and generalized gradient approximation (GGA) has been carried out in studying defect formation energies, ionizing energies and ferromagnetism of nitrogen-doped ZnO nanowires. The result shows that N_O is deep acceptor, which make it hard to ionize. Ferromagnetic (FM) and antiferromagnetic (AFM) coupling between N atoms are also investigated. The results show that FM coupling between N atoms is more stable than AFM coupling. The FM coupling mechanism is explained by the interaction of N energy level. In addition, zinc and oxygen vacancies affecting FM coupling is also discussed. It is found that zinc and oxygen vacancies are unfavorable for stabilizing FM coupling of nitrogen-doped ZnO nanowires.     

Inelastic interactions of fast nucleons with nuclei and fission of nuclei

The cross section for the fission of actinide nuclei that is induced by fast neutrons is considered as a fraction of the cross section for inelastic nucleon interaction with nuclei. In turn, inelastic nucleon interaction with a nucleus is treated as scattering on intranuclear nucleons. It is shown that this interaction model describes satisfactorily the cross section for the inelastic interaction of 60- to 2200-MeV nucleons for a broad set of nuclei and that the energy dependence of the cross section for the fission of actinide nuclei that is induced by 400- to 1000–MeV protons replicates the energy dependence of the cross section for inelastic interactions with respective nuclei. From the model used, it follows that the cross sections for proton-nucleus interactions exceed cross sections for respective neutron-nucleus interactions in the energy range extending up to 550 MeV; at higher energies neutron cross sections are larger than proton cross sections.     

Interaction between localized moments in dilute alloys: Correlation effects

The effect of including dynamical correlations between electrons of opposite spins in determining the ground state energy of a pair of magnetically interacting impurity atoms in an otherwise normal metal is discussed. It is found that in the ground state of such a system the spins of the magnetic impurity atoms are aligned antiparallel. In other words, the interaction between the localized states is of antiferromagnetic exchange type. This result differs sharply from that predicted by the Hartree-Fock (H-F) theory, in which the ground state of the system can be either ferro- or antiferromagnetic, depending on the energies of the spin up and spin down electrons relative to the Fermi energy. The calculations are performed using many-body Green's function techniques in thet-matrix approximation.     

On the photon production in nucleus-nucleus collisions at high energy

A modified Landau hydrodynamical model is applied to study hard thermal photon production in central heavy-ion collisions at LHC, RHIC and SPS energies. It is shown that the phase transition from quark-gluon plasma into hadrons in consequence of the thermodynamical expansion is close to the second order phase transition if a resonance production is taken into account. Hard direct photon emission is also investigated with consideration of nuclear shadowing effect on structure function of quarks and gluons. Also π^π photon background is investigated. It is demonstrated that at the LHC energy photon yield from the quark-gluon plasma in the photon transversal momentumk _⊥ range from 5 to 25 GeV/c exceeds both the background and the direct photon yield. This conclusion may be important for the quark-gluon plasma diagnostic aims. It is also shown that for the LHC energy the thermal photon yield in the present model essentially exceeds this yield obtained in the Bjorken scaling model.     

Thermodynamics and topology of disordered systems: Statistics of the random knot diagrams on finite lattices

The statistical properties of random lattice knots, the topology of which is determined by the algebraic topological Jones-Kauffman invariants, was studied by analytical and numerical methods. The Kauffman polynomial invariant of a random knot diagram was represented by a partition function of the Potts model with a random configuration of ferro-and antiferromagnetic bonds, which allowed the probability distribution of the random dense knots on a flat square lattice over topological classes to be studied. A topological class is characterized by the highest power of the Kauffman polynomial invariant and interpreted as the free energy of a q-component Potts spin system for q→∞. It is shown that the highest power of the Kauffman invariant correlates with the minimum energy of the corresponding Potts spin system. The probability of the lattice knot distribution over topological classes was studied by the method of transfer matrices, depending on the type of local junctions and the size of the flat knot diagram. The results obtained are compared to the probability distribution of the minimum energy of a Potts system with random ferro-and antiferromagnetic bonds.     

Spin coupling and magnetic field effects on the finite-size free energy and its non-extensivity for 1-D Ising model with nearest and next-nearest neighbor interactions in nanosystem

The effects of second-neighbor spin coupling interactions and a magnetic field are investigated on the free energies of a finite-size 1-D Ising model. For both ferromagnetic of nearest neighbor (NN) and next-nearest neighbor (NNN) spin coupling interactions, the finite-size free energy first increases and then approaches a constant value for any size of the spin chain. In contrast, when NNN and NN spin coupling interactions are antiferromagnetic and ferromagnetic, respectively, the finite-size free energy gradually decreases by increasing the competition factor and eventually vanishes for large values of it. When a magnetic field is applied, the finite-size free energy decreases with respect to the case of zero magnetic fields for both ferromagnetic and antiferromagnetic spin coupling interactions. Deviation of free energy per size for finite-size systems relative to the infinite system increases when the spin coupling interactions as well as the f parameter (the ratio of the magnetic field to NN spin coupling interaction) increase.     

The diffusion of hydrogen in b.c.c. VTi solid solutions

Recent data for the variation of the diffusivity of hydrogen in b.c.c. VTi solid solutions with Ti-concentration and temperature have been analyzed in terms of the cell model for such ternary solid solutions. The data have been shown to be compatible with this model and a simple cell energy spectrum involving H-metal interactions which are linearly dependent upon the Ti-concentration.It is shown that the interaction energies deduced from the kinetic behavior of the system are in good accord with thermodynamic data for the VH and TiH terminal solid solutions.     

Spin-charge density waves in the Hubbard model

The ground state of the Hubbard model in a square lattice is examined in the Hartree-Fock mean field approximation at zero temperature. At small finite hole doping, the system has periodically distributed soliton like structures whose modulations are incommensurate. In a self-consistent way, the Fermi energy can always be located in a gap. The incommensurate states have lower energies than the commensurate antiferromagnetic states calculated at the same filling. These soliton structures persist even when a sizeable nearest neighbor repulsive interaction is included.     

The expanded triangular Kitaev–Heisenberg model in the full parameter space

The classical Kitaev–Heisenberg model on the triangular lattice is investigated by simulation in its full parameter space together with the next-nearest neighboring Heisenberg interaction or the single-ion anisotropy. The variation of the system is demonstrated directly by the joint density of states (DOS) depending on energy and magnetization obtained from Wang–Landau algorithm. The Metropolis Monte Carlo simulation and the zero-temperature Glauber dynamics are performed to show the internal energy, the correlation functions and spin configurations at zero temperature. It is revealed that two types of DOS (U and inverse U) divide the whole parameter range into two main parts with antiferromagnetic and ferromagnetic features respectively. In the parameter range of U type DOS, the mixed frustration from the triangular geometry and the Kitaev interaction produces rich phases, which are influenced in different ways by the next-nearest neighboring Heisenberg interaction and the single-ion anisotropy.     

Spin waves and static susceptibility in the weakly doped t-J model

We investigate the spin dynamics in weakly doped high-temperature superconductors. The system is described by the two-dimensional t-J model. Our focus is on the interaction between mobile holes and spin waves. The calculations are based on a recently introduced cumulant method for computing the ground state energy of correlated electronic systems. Contrary to previous works using dynamical quantities like correlation functions or spectral densities our approach contains a static view to the system. This new method treats spin and hole dynamics on the same basis and allows for the calculation of static and dynamical quantities. We present results for spin-wave energies and transverse static susceptibilities for small hole concentrations and various values of t/J. We find a strong renor-malization of the spin-wave energies due to the spin-hole interaction. In agreement with neutron scattering experiments the spin-wave velocity vanishes at a critical hole density of a few percent which is equivalent to the instability of the antiferromagnetic order.     

Centrality and energy dependence of rapidity correlation patterns in relativistic heavy ion collisions

The centrality and energy dependence of rapidity correlation patterns are studied in Au+Au collisions by using AMPT with string melting,RQMD and UrQMD models.The behaviors of the shortrange correlation(SRC)and the long-range correlation(LRC)are presented clearly by two spatial-position dependent correlation patterns.For centrality dependence.UrQMD and RQMD give similar results as those in AMPT,i.,e., in most central collisions,the correlation structure is flatter and the correlation range is larger,which indicates a long range rapidity correlation.A long range rapidity correlation showing up in RQMD and UrQMD implies that patton interaction is not the only source of long range rapidity correlations.For energy dependence,AMPT with string melting and RQMD show quite different results.The correlation patterns in RQMD at low collision energies and those in AMPT at high collision energies have similar structures,i.e.aconvex curve.while the correlation patterns in RQMD at high collision energies and those in AMPT at low collision energies show fiat structures,having no position dependence.Long range rapidity correlation presents itself at high energy and disappears at low energy in RQMD,which also indicates that long range rapidity correlations may come from some trivial effects,rather than the parton interactions.     

张应力对铁磁/反铁磁体系交换偏置的影响

 采用能量极小原理及Stoner-Wohlfarth模型,研究了张应力对铁磁/反铁磁双层薄膜交换偏置的影响。在不施加外磁场时,根据体系能量与铁磁层磁化强度方向之间的关系,得到了内禀易轴与内禀难轴的位置。交换各向异性与单轴各向异性之间的竞争使体系存在单稳态与双稳态两种不同的状态,直接决定了交换偏置的角度依赖关系。分析磁化过程发现,外磁场在沿内禀易轴及内禀难轴方向施加时,磁滞回线的一支转换场发生突变,另一支转换场保持不变,最终导致交换偏置场和矫顽场出现阶跃行为。在阶跃点处,体系具有较大的交换偏置场和矫顽场。数值计算表明：张应力的大小与方向对交换偏置均有很大的影响,均可以使体系在单稳态与双稳态之间相互转变并导致角度依赖关系发生显著变化。研究表明,应力可作为一种可行的方法来控制和调节铁磁/反铁磁体系的交换偏置。     

On the random binary Ising system with a transverse field

The transition temperature and paramagnetic susceptibility in the random binary Ising model with a transverse field are obtained. The system is composed of ferro- and antiferromagnetic spins. It is found that ferro- and antiferromagnetic states coexist in some cases.     

Dissipative Dynamics and the Statistics of Energy States of a Hookean Model for Protein Folding

A generic model of a random polypeptide chain, with discrete torsional degrees of freedom and Hookean spring connecting pairs of hydrophobic residues, reproduces the energy probability distribution of real proteins over a very large range of energies. We show that this system with harmonic interactions, under dissipative dynamics driven by random noise, leads to a distribution of energy states obeying a modified one-dimensional Ornstein–Uhlenbeck process and giving rise to the so-called Wigner distribution. A tunably fine- or coarse-grained sampling of the energy landscape yields a family of distributions for the energies and energy spacings.     

Thermodynamic limit for the one-dimensional Ising systems with random interaction of finite range

The existence of the thermodynamic limit is proved for the random one-dimensional Ising systems under the assumption that the interaction energies are random variables taking on continuous values and the distribution of the random variables is given by a continuous function. It is assumed that the total number of possible configurations for each lattice site is finite and the range of interaction is finite.     

Multiferroic phase transitions in manganites RMnO₃:A two-orbital double exchange simulation

The semi-quantum two-orbital exchange model is used to investigate the effect of small rare-earth ion substitution on orthorhombic RMnO 3 with A-type antiferromagnetic order,using the Monte Carlo algorithm,exact diagonalization,and zero-temperature optimization approaches.It is revealed that the substitution results in a rich multiferroic phase diagram where the coexisting A-type antiferromagnetic phase and spiral spin phase,pure spiral spin phase,coexisting spiral spin phase,the E-type antiferromagnetic phase,and the pure E-type antiferromagnetic phase emerge in sequence.The multiferroic phase transitions modulate substantially the electric polarization,which is consistent qualitatively with recent experiments.     

磁性纳米颗粒系统偶极相互作用的Monte Carlo研究

采用局域Monte Carlo方法模拟不同易轴分布的简单立方排列单分散单畴Fe纳米颗粒系统的ZFC-FC曲线及磁滞回线.结果表明：随着偶极相互作用的增强，系统的阻塞温度T_B逐渐增大，且ZFC曲线的峰变宽.说明偶极相互作用使得系统的有效能垒提高，分布宽度增加.研究FC曲线磁化强度的倒数与温度关系，发现偶极相互作用系统中存在反铁磁有序.系统的阻塞态及超顺磁态的磁滞回线表明，极低低温下，随着偶极相互作用的增强，系统的矫顽力和剩磁减小，偶极相互作用阻碍系统的磁化；系统处于超顺磁态，各向异性作用及偶极相互作用使得系统的磁化曲线偏离Langevin曲线且偶极相互作用展现出退磁相互作用效应.偶极相互作用增强，系统磁化曲线与Langevin曲线偏差量的最大值向低场移动.在偶极相互作用下，易轴与外场夹角为45°的磁性纳米颗粒系统的平均有效能垒和有效能垒分布宽度较易轴随机分布系统的大.