Properties of small antiferromagnetic Ising clusters

Magnetic properties of small antiferromagnetic clusters have been studied by using the Ising model with nearest-neighbour interactions. The number of atoms in the clusters varied between 6 and 30. Several cluster geometries were analysed in detail with the result that there is no generic phase diagram. In an external magnetic field magnetisation can increase with increasing temperature in a considerable temperature range. Magnetisation was found to strongly depend on both the overall geometry of the cluster and on the symmetry of the underlaying lattice structure.     

Proton magnetic relaxation study of pretransitional phenomena in the isotropic phase of a nematic liquid crystal II. Presence of inner magnetic field gradients as revealed by self-diffusion study

Above the clearing point of a nematic LC self-diffusion was studied by the Hahn pulse sequence (90-t-180) in the presence of a weak (up to 4 Gs cm^-1) permanent external magnetic field gradient G = ?H/?z. The non-linearity of spin-echo decays was interpreted as a result of the inner magnetic field gradient Gamma, indicating the magnetically non-homogeneous nature of the pretransitional zone of the LC. The pretransitional zone was considered to be biphasic (locally ordered clusters ? isotropic surrounding). Due to the orientation of clusters in the magnetic field and the anisotropy of the diamagnetic susceptibility of their molecules, the diamagnetic susceptibility of clusters in the z direction should be different from that of their disordered surroundings. Therefore, clusters behave as specific filled particles, their diamagnetic response in the presence of G being different from that of their isotropic surroundings, i.e. clusters can experience a translational motion in the external field gradient. This leads to the peculiar diamagnetic separation in space, accompanied by an increase of the field gradient. The inner field gradient was shown to be proportional to G²t³ and to decrease with temperature.     

酞菁钴/铁纳米填充母粒组成的磁流变液性能

采用有机/无机原位（insitu）复合方法制备得出酞菁钴/铁纳米填充母粒,与甲基硅油组成磁流变液（MRS）。MRS的附加动态剪切应力（Δτ)与分散介质浓度、外加磁场强度呈正比例关系;剪切速率对Δτ的影响表明磁致流变为链状结构特征;Δτ对温度不敏感;MRS对外加磁场有可逆的开/关变化特征,无记忆效应,磁流变响应时间小于0.1s。     

Two-dimensional Monte Carlo simulations of a colloidal dispersion composed of polydisperse ferromagnetic particles in an applied magnetic field

We have investigated aggregation phenomena in a polydisperse colloidal dispersion of ferromagnetic particles simulated by employing the cluster-moving Monte Carlo method in an applied magnetic field. The influence of both particle-particle and particle-field interactions on the aggregate structures is analyzed in terms of a pair correlation function. The results obtained in this study are summarized as follows: Under a strong magnetic field, chainlike clusters are formed along the magnetic field direction, and they become thickly clustered with an increase in the strength of the external magnetic field. Moreover, the thickly clustered chains are formed for a polydisperse system that has a large standard deviation of particle diameters. In contrast, for a very weak magnetic field, the strong interaction between the larger particles gives rise to the formation of various shapes in the chainlike clusters, including bending, looping, and branching. With an increase in the external magnetic field, these structures reorganize to form straight chainlike clusters. Furthermore, the thickness of the chainlike clusters for the polydisperse system is found to depend on the standard deviation of the particle-size distribution but is found to be independent of the magnetic field strength.     

Agglomeration of magnetic nanoparticles

The formation of agglomerates by salt-induced double layer compression of magnetic nanoparticles in the absence and presence of an external magnetic field was investigated experimentally as well as computationally in this study. The structures of the agglomerates were analyzed through scanning electron microscopy and proved to be highly porous and composed of large spaces among the branches of a convoluted network. In the absence of an external magnetic field, the branches of such a network were observed to be oriented in no particular direction. In contrast, when the agglomeration process was allowed to occur in the presence of an external magnetic field, these branches appeared to be oriented predominantly in one direction. A modified Discrete Element Method was applied to simulate the agglomeration process of magnetic nanoparticles both in the absence and presence of an external magnetic field. The simulations show that agglomeration occurred by the formation of random clusters of nanoparticles which then joined to form a network. In the presence of anisotropic magnetic forces, these clusters were rotated to align along the direction of the magnetic field and the final network formed consisted largely of elongated branches of magnetic nanoparticles.     

Bound electron states in clusters of inert atoms in a magnetic field

An external magnetic field is shown to stabilize negatively charged clusters of inert atoms. In an external magnetic field the critical number of atoms in a cluster, necessary to bound an excess electron to a neutral cluster, is less than that in the absence of a field. General conditions for creation of electron bound states in a cluster in a magnetic field are considered.     

Theory for the atomic shell structure of the cluster magnetic moment and magnetoresistance of a cluster ensemble

We present a simple theory for the cluster size dependence of the average cluster magnetic moment of transition metal clusters. Assuming a local environmental dependence of the atomic magnetic moments, the cluster magnetization exhibits a magnetic shell structure, reflecting the atomic structure of the cluster. Thus, the observed oscillations of the average cluster magnet moment may serve as a fingerprint of the cluster geometry. We also discuss the giant magnetoresistance (GMR) exhibited by an ensemble of magnetic clusters embedded in a metallic matrix. It is shown that the magnetic anisotropy affects strongly the magnetization of the cluster ensemble under certain conditions. Since the GMR depends on the cluster ensemble magnetization, it can be used to determine the cluster magnetic anisotropy energy.     

Viscoelasticity of suspensions of magnetic particles in a polymer: effect of confinement and external field

We study the suspensions of magnetic particles, the precursor state of magnetic gels and elastomers. We use magnetic particles with a permanent magnetization which is high enough to overcome thermal energy and low enough to guarantee a long live time of the sample. These particles form a space-filling structure at very low volume fractions (approximately 0.5 vol %), which modifies the viscoelastic response of the matrix significantly. In confined geometry the particles form clusters of a size that depends on the sample thickness. Even small external fields induce a strong anisotropy in the mechanical and optical properties of the suspension. The action of the applied magnetic field induces a gel-like response in one direction but leaves the other directions liquidlike. The viscosity is a very sensitive mechanical test for the anisotropy of the material. Light scattering data confirm our mechanical results.     

Periodic structure of spicular magnetic clusters in a magnetic liquid

The behavior of clusters formed by magnetic particles of magnetic liquid placed into a cylindrical capillary tube in magnetic field is described. Spicular clusters are formed from the sediment at the application of a magnetic field. They arrange themselves along the capillary repeating the direction of external magnetic field. Clusters distribute uniformly in the region of a magnetic field maximum. Such a state remains steady with respect to changes of the magnetic field gradient profile in definite limits. The structure of the uniformly ordered clusters is obtained experimentally. The capability of control of the structure period is shown. It is observed that increasing of magnetic field gradient up to the magnitude higher than a certain threshold value results in rearrangement of the clusters row into a multi-row hexagonal structure.     

Structure and magnetic properties of Co nanowires electrodeposited into the pores of anodic alumina membranes

Cobalt nanowires were obtained in the process of electrodeposition into pores of an alumina membrane. Structural research (XRD, TEM) of Co revealed the face-centered cubic structure. However, the existence of the hexagonal structure cannot be excluded due to strong texture. The influences of an external magnetic field and Al₂O₃ membrane geometry on magnetic properties of obtained wires were examined. It was found that cobalt nanowires exhibit pronounced shape anisotropy in a direction parallel to the wire axis. The highest influence on the magnetic properties is ascribed to the nanowires geometry i.e., height, diameter, and distances between single wires. Application of an external magnetic field in a perpendicular direction to the sample surface during cobalt electrodeposition increases magnetic anisotropy with a privileged direction along the wire axis. Application of the magnetic field in a parallel direction to the sample surface changes the direction of magnetization.     

Enhancement of magnetic resonance contrast effect using ionic magnetic clusters

Precise diagnosis by magnetic resonance imaging (MRI) requires sensitive magnetic resonance probes to detect low concentrations of magnetic substances. Ionic magnetic clusters (IMCs) as versatile magnetic probes were successfully synthesized for enhancing the magnetic resonance (MR) contrast effect as well as ensuring high water solubility. IMCs with various sizes were prepared by assembly of MNCs using cationic cetyltrimethylammonium bromide (CTAB) and anionic sodium dodecyl sulfate (SDS). To synthesize IMCs in the aqueous phase, magnetic nanocrystals in an organic solvent were assembled with CTAB and SDS using the nanoemulsion method, to fabricate cationic magnetic clusters (CMCs) and anionic magnetic clusters (AMCs), respectively. IMCs demonstrated ultrasensitivity by MR imaging and sufficient magnetic mobility under an external magnetic field.     

Three-dimensional Monte Carlo simulations of internal aggregate structures in a colloidal dispersion composed of rod-like particles with magnetic moment normal to the particle axis

We have treated a suspension composed of ferromagnetic rod-like particles with a magnetic moment normal to the particle axis in order to investigate aggregation phenomena of such a suspension by means of cluster-moving Monte Carlo simulations. In the present study, we have considered a three-dimensional mono-dispersed model system composed of such rod-like particles. Internal structures of self-assembled clusters have been discussed quantitatively in terms of radial distribution, pair correlation, orientational pair correlation functions, number distributions of clusters, and order functions. The main results obtained here are summarized as follows. Rod-like particles tend to aggregate to form raft-like clusters along the magnetic moment direction more significantly with magnetic particle-particle interactions. In such raft-like clusters, the direction of each particle axis has a tendency to incline in parallel formation, but is not so parallel as in a two-dimensional dispersion. As the volumetric fraction increases, longer raft-like clusters are formed, but such raft-like clusters do not aggregate further to form thicker clusters, which is in significantly contrast with a dispersion of spherical particles, where thicker chain-like clusters are observed under certain conditions. For the case of strong magnetic particle-particle interactions, sufficiently long raft-like clusters are formed along the magnetic field direction, even if the influence of an external magnetic field is of the same order of that of the thermal energy. However, rod-like particles in such clusters do not necessarily incline in significantly parallel formation along a certain direction. Self-assembled tube-like clusters are formed when magnetic particle-particle interactions are much more dominant than the rotational Brownian motion under circumstances of rod-like particles inclining in a certain direction.     

(CoMn)n(n=1～5)合金团簇的结构和磁性

All geometry structures of (CoMn)n (n=1-5) clusters were optimized, and the energy, frequence and magnetism of (CoMn)n (n=1-5) clusters were calculated by using the local spin density approximation and generalized gradient approximation of density functional theory. The same ground state structures of CoMn alloy clusters were confirmed in two methods, and magnetism of CoMn alloy ground state clusters was studied systemically. In order to understand structure and magnetism of CoMn alloy clusters better, Co2n (n=1-5) and Mn2n (n=1-5) clusters were calculated by the same method as alloy clusters, whose ground state structure and magnetism were confirmed. Moreover, the ground state structure and magnetism of clusters with the corresponding CoMn alloy clusters was compared. Results indicated that for (CoMn)n (n=1-4) clusters, geometry structures of CoMn alloy clusters are the same as the corresponding pure clusters still, (CoMn)3 and (CoMn)4 exhibit magnetic bistability, show ferromagnetic and anti-ferromagnetic coupling, local magnetic moment of Co, Mn atoms in CoMn alloy clusters almost preserves magnetism of pure clusters still.     

Surfactant-assisted one-pot synthesis of superparamagnetic magnetite nanoparticle clusters with tunable cluster size and magnetic field sensitivity

Magnetic nanoparticles (MNPs) have many potential biomedical applications. Improvements in their magnetic properties and solubility are necessary for these applications to realize their full potential. In this study, MNPs in the form of raspberry-like magnetite (Fe(3)O(4)) nanoparticle clusters, consisting of tiny Fe(3)O(4) particles with a diameter of approximately 20 nm, were prepared under hydrothermal conditions at 200 °C in the presence of 3,4-dihydroxyhydroxysinnamic acid (DHCA). The primary particles were connected by DHCA molecules to form the clusters, which were well dispersed in water media because a COOH group from DHCA appeared on their surfaces. The cluster size could be tuned from 50 to 400 nm without changing the primary particle size by controlling the reaction time. Therefore, all prepared clusters displayed superparamagnetic properties at room temperature. In addition, the sensitivity of Fe(3)O(4) to an external magnetic field could also be controlled by the cluster size.     

Geometries and magnetisms of the Zr(n) (n=2-8) clusters: the density functional investigations

The geometries, stabilities, and electronic and magnetic properties of small-sized Zr(n) (n=2-8) clusters with different spin configurations were systematically investigated by using density functional approach. Emphasis is placed on studies that focus on the total energies, equilibrium geometries, growth-pattern behaviors, fragmentation energies, and magnetic characteristics of zirconium clusters. The optimized geometries show that the large-sized low-lying Zr(n) (n=5-8) clusters become three-dimensional structures. Particularly, the relative stabilities of Zr(n) clusters in terms of the calculated fragmentation energies and second-order difference of energies are discussed, exhibiting that the magic numbers of stabilities are n=2, 5, and 7 and that the pentagonal bipyramidal D(5h) Zr(7) geometry is the most stable isomer and a nonmagnetic ground state. Furthermore, the investigated magnetic moments confirm that the atomic averaged magnetic moments of the Zr(n) (n not equal to 2) display an odd-even oscillation features and the tetrahedron C(s) Zr(4) structure has the biggest atomic averaged magnetic moment of 1.5 mu(B)/at. In addition, the calculated highest occupied molecular orbital-lowest unoccupied molecular orbital gaps indicate that the Zr(n) (n=2 and 7) clusters have dramatically enhanced chemical stabilities.     

Density functional calculations of Ni5 and Ni6 clusters

Density functional calculations on the electronic structure and magnetic properties of Ni₅ and Ni₆ clusters are presented in this work. The geometry and spin state of clusters are optimized for several starting symmetries. Moreover, those calculations are followed by a vibrational analysis to discriminate between real minima and saddle-points on the potential energy surface of clusters. Equilibrium geometries, electronic configurations, binding energies, magnetic moments, and harmonic frequencies of stable Ni₅ and Ni₆ clusters are reported.     

Geometries, stabilities, and electronic properties of small anion Mg-doped gold clusters: a density functional theory study

First-principle density functional theory is used for studying the anion gold clusters doped with magnesium atom. By performing geometry optimizations, the equilibrium geometries, relative stabilities, and electronic and magnetic properties of [Au(n)Mg]? (n = 1-8) clusters have been investigated systematically in comparison with pure gold clusters. The results show that doping with a single Mg atom dramatically affects the geometries of the ground-state Au(n+1)? clusters for n = 2-7. Here, the relative stabilities are investigated in terms of the calculated fragmentation energies, second-order difference of energies, and highest occupied?lowest unoccupied molecular orbital energy gaps, manifesting that the ground-state [Au(n)Mg]? and Au(n+1)? clusters with odd-number gold atoms have a higher relative stability. In particular, it should be noted that the [Au?Mg]? cluster has the most enhanced chemical stability. The natural population analysis reveals that the charges in [Au(n)Mg]? (n = 2-8) clusters transfer from the Mg atom to the Au frames. In addition, the total magnetic moments of [Au(n)Mg]? clusters exhibit an odd-even oscillation as a function of cluster size, and the magnetic effects mainly come from the Au atoms.     

Spin relaxation in isolated molecules and clusters: the interpretation of Stern-Gerlach experiments

Intramolecular spin relaxation may occur in isolated molecules or clusters provided that the density of rovibrational eigenstates is sufficiently high to serve as an energy bath and angular momentum is conserved. In the coupled, zero-field limit, total angular momentum (J) is the sum of spin (S) and rotational (N) momenta such that J and M(J) are good angular momentum quantum numbers. In the coupled limit, transitions between Zeeman levels (Delta M(J)++0) cannot occur in the absence of an external torque. However, in the high-field limit, J and M(J) are no longer good quantum numbers, as N and S are decoupled and only their projections on the z axis defined by the external field are invariant. In this case M(N) and M(S) remain as good quantum numbers so that angular momentum conserving transitions can occur subject to the selection rule Delta M(N)=-Delta M(S). Determination of the magnetic moments of isolated molecules and clusters via a thermodynamics-based analysis requires that their magnetizations are measured at sufficiently large fields that spin-rotation effects become negligible and the Zeeman level structure approaches the free-spin case.     

Metal clusters on an inert surface: a simple model

The shapes of metal clusters (with 2 to 14 valence electrons) on an inert surface are studied with a simple model based on the ultimate jellium model. It is shown that within certain approximations the surface-cluster interaction can be described with an external potential in the Kohn-Sham method. No restrictions for the cluster geometry are imposed. The results show that depending on the strength of the interaction and on the size of the cluster, the ground state is either planar or three-dimensional, but in many cases both geometries are stable and there is a marked energy barrier between them. The results agree qualitatively with ab initio calculations of Na clusters on a NaCl(100) surface.     

Linear and circular dichroism detection of magnetic torque on matrix isolated small manganese clusters

Matrix isolated atoms and small manganese clusters have been isolated in krypton matrices at concentrations lower than 10^?3. Absorption and polarized light measurements have been conducted simultaneously on these samples. Defined electronic transitions show distinct circular or linear dichroïsm signals only after the application of an external magnetic field. Clusters belonging to these bands have an axial structure with a plane of symmetry perpendicular to their magnetic moment. On the basis of previous ESR results we are concluding that three of the defined electronic transitions are due to Mn₅ cluster.