Comparison of the molecular cluster model with the phonon model for Jahn—Teller active impurities in crystals

For comparing the molecular cluster model with the phonon model in describing the Jahn-Teller interaction for magnetic impurities in crystals, the Jahn-Teller energy and the Ham reduction factors are expressed in terms of the phonon Green's function of the host crystal for an orbital triplet coupled to E_g modes of vibrations. Numerical results for the case of MgO lattice have been obtained using the phonon Green's function derived from the breathing shell model.     

A self-consistent cluster study of the Emery model

We calculate Fermi-surface properties of the Cuprate superconductors within the three band Hubbard model (also called the Emery model) using a cluster expansion for the proper selfenergy. The Fermi-surface topology is in agreement with angular-resolved photoemission data for dopings ～ 20%. We discuss possible violations of the Luttinger sum-rule for smaller dopings and the role of van-Hove singularities in the density of states of the Zhang-Rice singlets. We calculate the shift in the chemical potential upon doping and find quantitative agreement with recent experiments.     

A threshold of Vo/Vo to room temperature ferromagnetism of hydrogenated Mn doped ZnO nanoparticles

Hydrogenated Mn doped Zn_1−xMn_xO (x = 0.03, 0.04, 0.08) nanoparticles were prepared by co-precipitation method. With the increase of Mn ions concentration, the magnetization of the hydrogenated Zn_1−xMn_xO increased. Photoluminescence spectra of samples annealed in Ar and H₂ respectively were performed and the visible bands were fitted with Gaussian analysis. It is concluded that the sharp magnetization enhancement could be attributed to the long-rang interaction between bound-magnetic-polarons led by the singly charged oxygen vacancy (Vo⁺).     

A new cluster algorithm for the Baxter-Wu model

We propose a new cluster algorithm for the Baxter-Wu model that significantly reduces critical slowing down. We examine the behavior of the created clusters as we vary the temperature and then specify dynamic exponents. Comparison is made with the Metropolis algorithm and with the other existing cluster algorithm.     

Violation of Kleinman's symmetry condition in paratellurite

The nonlinear optical properties of TeO2, in which second harmonic generation is forbidden by the Kleinman symmetry condition have been investigated. The second harmonic generation coefficient dTeO214 = (1.9 ± 0.2) dα-SiO211 = 0.69 ± 0.08) × 10−12 m/V and the Miller δ-coefficient δTeO214 = (0.105 ± 0.013) × 10-2 m2/C. The second harmonic generation coefficient is phase-matchable for a type I process for 1.064 μm and 1.318 μm fundamentals.     

A field theoretic cluster model of multiperipheral production

A field theoretic cluster model of multiproduction process in hadron-hadron collisions at high energy is considered. The multiproduction here is a two-step process. In the first step clusters are produced. We use a field theoretic formalism to describe cluster creation. A validity of the standard approximations, that are usually made in multiperipheral models is discussed. A modified strong ordering hypothesis is proposed. This leads to the Feynman scaling violation. Then cluster decay is considered. Expressions for semi-inclusive pion distributions in rapidity are given and a comparison with experimental data is made.     

Manifestation of gyrotropy upon light scattering in paratellurite

Upon scattering of laser radiation at different wavelengths, three optical effects—rotation of the plane of polarization of linearly polarized light, dependence of the specific rotation on the radiation wavelength, and the dependence of the scattered light intensity on the angle between the scattered and incident beams—are simultaneously observed. The intensity distributions of the scattered laser light at 0.488, 0.531 nm, and 0.633 μm along the optical axis of a thick sample of a TeO₂ single crystal are visualized. Based on the patterns obtained, the values of the specific rotation are calculated, and the curve of the optical rotation for the visible range is obtained.     

Propagation of acoustic beams in a paratellurite crystal

A general solution to the problem of acoustic beam diffraction in an anisotropic medium has been obtained. The effect of acoustic anisotropy of paratellurite crystal on the structure of beams propagating in the XY crystallographic plane has been analyzed. Ray spectra are calculated for different propagation directions of ultrasound. The effects of beam focusing, defocusing, and autocollimation caused by acoustic anisotropy have been analyzed.     

Superconductivity in a molecular metal cluster compound

Compelling evidence for band-type conductivity and even bulk superconductivity below Tc approximately 8 K has been found in (69,71)Ga NMR experiments in crystalline ordered, giant Ga84 cluster compounds. This material appears to represent the first realization of a theoretical model proposed by Friedel in 1992 for superconductivity in ordered arrays of weakly coupled, identical metal nanoparticles.     

Interfacial wetting in the 4-state Potts model: A cluster approach

We formulate an inhomogeneous generalization of the bond-cluster approach to deal with interfacial phenomena in q  -state Potts models. We apply this formalism to the wetting by the disordered phase of the interface between two bulk phases. For the case q=4$q=4$ we obtain the full interfacial profiles, provide an estimate for the wetting temperature and verify the predicted logarithmic divergence of the wetting layer.     

A model for cluster confinement in one dimensional many-body systems

A variant of the one-dimensional “toy model” for QCD of Horowitz et al. is presented, which uses a density dependent rather than the many-body force originally proposed by Lenz et al. Our approach suggests, already within the RPA framework, the occurrence of a phase transition simulating the one from quark to hadronic matter, similar to the transition foreseen by Horowitz et al. However our force is easy to handle in three dimensions as well, but in such a case, of course, the correspondence between our and the “toy model” remains to be verified.     

Percolation and cluster distribution. II. layers,variable-range interactions,and exciton cluster model

Monte Carlo simulations for the site percolation problem are presented for lattices up to 64 x 10⁶ sites. We investigate for the square lattice the variable-range percolation problem, where distinct trends with bond-length are found for the critical concentrations and for the critical exponents and. We also investigate the layer problem for stacks of square lattices added to approach a simple cubic lattice, yielding critical concentrations as a functional of layer number as well as the correlation length exponent. We also show that the exciton migration probability for a common type of ternary lattice system can be described by a cluster model and actually provides a cluster generating function.Supported by NSF Grant DMR76-07832.     

Revealing sol-gel type main effects by exploring a molecular cluster behavior in model in-plane amphiphilic aggregations

In-plane (bio)matter aggregations of amphiphilic nature are modeled extensively by Monte Carlo simulation in their natural entropic contexts. The modeling starts by designing the aggregations at a molecular level, pointing to its well-known configuration vs conformation character. Then, the conformational behavior is distributed over the aggregations obtained, with the aim of revealing their main sol-gel type (viscoelastic) effects. The passage between the resulting sol and gel phases is not controlled by a scan in the temperature domain, on the contrary, the control parameter is selected to be the hydrophobic-interaction strength while the temperature remains unchanged. The distribution of ordered fringed micelles, and the overall crystalline inclusions of the gel phase, suggested a first-order phase change, reasonably conceivable in terms of Avrami-Kolmogorov formalism for such hydrophobic-force driven and percolation-in-nature systems. A phase transition diagram has been presented as a novel proposition to discern between sol vs gel phases. As specific results, also of high experimental value, a damped-oscillating cluster-involving effect on the resulting hydrophobic-polar matrices has been detected and analysed. Other additional intermolecular-sharing entropy-influenced effects on clustering, as seen in terms of chain-to-chain connectivities, have been addressed as being of sufficient relevance to the gelation mechanism described. The microcrystalline inclusions downgrade to some extent the overall picture of entropy-affected gelation, being all together suitable for experimental check-out.     

The di-hyperon state in the quark cluster model

The di-hyperon state (DH) predicted by Jaffe in the MIT bag model is studied in the non-relativistic quark cluster model. The resonating group method is applied to the ΛΛ, NΞ and ΣΣ coupled channels problem. No stable bound state is found below the lowest ΛΛ threshold but a sharp resonance with spin-parity 0⁺ is predicted just below the NΞ threshold. The structure of the state is similar to that of the flavour SU₃ singlet state and the attractive nature of the color magnetic interaction in this state is responsible for the appearance of the resonance. The difference between the present model and the bag model which predicted a strongly bound state is attributed to the difference in the mechanism of confinement for these two models.     

Almost sure quasilocality in the random cluster model

We investigate the Gibbsianness of the random cluster measures ^{q, p} and , obtained as the infinite-volume limit of finite-volume measures with free and wired boundary conditions. Forq>1, the measures are not Gibbs measures, but it turns out that the conditional distribution on one edge, given the configuration outside that edge, is almost surely quasilocal.