A kinetic Monte Carlo investigation of island nucleation and growth in thin-film epitaxy in the presence of substrate-mediated interactions

Island nucleation and growth during thin-film epitaxy is typically described using mean-field rate equations, which can be solved to predict the density of stable islands as a function of the deposition rate and the diffusivity of an isolated adatom. Recent theoretical and experimental studies indicate that medium- and long-range interactions between adatoms may change the simple picture that nucleation theory provides, because the presence of these interactions invalidates some of its assumptions. In this work, we investigate the ramifications of medium-range, substrate-mediated interactions for aspects of island nucleation and growth. The interactions are quantified for Ag on a strained Ag (111) substrate using density-functional-theory calculations. We discuss our incorporation of these interactions into a kinetic Monte Carlo model to study thin-film epitaxy. The simulated thin-film growth is compared to predictions by standard nucleation theory. We discuss features of island nucleation and growth that are actuated by the presence of medium-range interactions. Received: 30 April 2001 / Accepted: 23 July 2001 / Published online: 3 April 2002     

Painlevé integrability and multi-dromion solutions of the 2+1 dimensional AKNS system

The Painlevé integrability of the 2+1 dimensional AKNS system is proved. Using the standard truncated Painlevé expansion which corresponds to a special B?cklund transformation, some special types of the localized excitations like the solitoff solutions, multi-dromion solutions and multi-ring soliton solutions are obtained. Received 31 January 2001 and Received in final form 15 May 2001     

A microscopic mechanism for rejuvenation and memory effects in spin glasses

Aging in spin glasses (and in some other systems) reveals astonishing effects of `rejuvenation and memory' upon temperature changes. In this paper, we propose microscopic mechanisms (at the scale of spin-spin interactions) which can be at the origin of such phenomena. Firstly, we recall that, in a frustrated system, the effective average interaction between two spins may take different values (possibly with opposite signs) at different temperatures. We give simple examples of such situations, which we compute exactly. Such mechanisms can explain why new ordering processes (rejuvenation) seem to take place in spin glasses when the temperature is lowered. Secondly, we emphasize the fact that inhomogeneous interactions do naturally lead to a wide distribution of relaxation times for thermally activated flips. `Memory spots' spontaneously appear, in the sense that the flipping time of some spin clusters becomes extremely long when the temperature is decreased. Such memory spots are capable of keeping the memory of previous ordering at a higher temperature while new ordering processes occur at a lower temperature. After a qualitative discussion of these mechanisms, we show in the numerical simulation of a simplified example that this may indeed work. Our conclusion is that certain chaos-like phenomena may show up spontaneously in any frustrated and inhomogeneous magnetic system, without impeding the occurrence of memory effects. Received 5 February 2001 and Received in final form 27 April 2001     

Evaluation of carbon films electrodeposited on different substrates from different organic solvents

Diamond-like-carbon (DLC) films have been deposited on Si, aluminum and indium tin oxide-coated glass from several organic solvents with pulse-modulated power. The films are characterized by X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. XPS spectra show that the main composition of the films is carbon and Raman spectra show that the films are typical DLC films and a high potential is preferable in the formation of sp ³-structure carbon. Comparing the results from different solvents and different substrates we deduce that the methyl group of the solvents has a critical function in forming the DLC films. However, the formation process and the characters of the films, such as appearance, resistivity and thickness, are mainly determined by the substrate. We may call this deposition a substrate-controlled reaction. Received: 31 May 2000 / Accepted: 9 January 2001 / Published online: 3 April 2001     

Commutation technique for interacting close-to-boson excitons

The correct treatment of the close-to-boson character of excitons is known to be a major problem. In a previous work, we have proposed a “commutation technique” to include this close-to-boson character in their interactions. We here extend this technique to excitons with spin degrees of freedom as they are of crucial importance for many physical effects. Although the exciton total angular momentum may appear rather appealing at first, we show that the electron and hole angular momenta are much more appropriate when dealing with scattering processes. As an application of this commutation technique to a specific problem, we reconsider a previous calculation of the exciton-exciton scattering rate and show that the proposed quantity is intrinsically incorrect for fundamental reasons linked to the fermionic nature of the excitons. Received 25 October 2001 Published online 25 June 2002     

On adiabatic N-soliton interactions and trace identities

We compare the Hamiltonian properties of the N-soliton solutions of the NLSE in the adiabatic approximation and show how it matches the Hamiltonian formulation for the complex Toda chain which describes the adiabatic N-soliton interactions. Received 21 October 2001 Published online 2 October 2002 RID="a" ID="a"e-mail: gerjikov@inrne.bas.bg     

Standing wave instabilities, breather formation and thermalization in a Hamiltonian anharmonic lattice

Modulational instability of travelling plane waves is often considered as the first step in the formation of intrinsically localized modes (discrete breathers) in anharmonic lattices. Here, we consider an alternative mechanism for breather formation, originating in oscillatory instabilities of spatially periodic or quasiperiodic nonlinear standing waves (SWs). These SWs are constructed for Klein-Gordon or Discrete Nonlinear Schr?dinger lattices as exact time periodic and time reversible multibreather solutions from the limit of uncoupled oscillators, and merge into harmonic SWs in the small-amplitude limit. Approaching the linear limit, all SWs with nontrivial wave vectors (0 < Q < π) become unstable through oscillatory instabilities, persisting for arbitrarily small amplitudes in infinite lattices. The dynamics resulting from these instabilities is found to be qualitatively different for wave vectors smaller than or larger than π/2, respectively. In one regime persisting breathers are found, while in the other regime the system thermalizes. Received 6 October 2001 / Received in final form 1st March 2002 Published online 2 October 2002 RID="a" ID="a"e-mail: mjn@ifm.liu.se     

Cold ignition of combustion-like waves of cryo-chemical reactions in solids

Fronts of weakly exothermal chemical reaction may propagate in solids at very low temperatures ( 4K≤T≤77K) thanks to a quite unusual mechanism, involving a feedback between the heat produced by the reaction and the disruption of the solid matrix. In this class of phenomena, the reaction may be induced by mechanical constraints, without a large elevation of temperature. On the basis of a simple phenomenological model, we investigate ignition of a propagating front by initially (i) disrupting a localized zone of the solid matrix, or by (ii) introducing a temperature jump, leading to a thermal shock with strong temperature gradients. In particular, we show that reaction can be initiated by disrupting only a very small fraction of the sample. Applications to the problem of initiation of solid explosives by friction or shocks is briefly discussed. Received 26 January 2001 and Received in final form 3 May 2001     

Exciton-polariton solitary waves

Effects of the exciton and polariton dispersions and the nonlinear exciton and photon interactions on the properties of polariton solitons in molecular crystals are investigated. Higher-order terms and phase-modulation (chirp) are taken into account. Bright- and dark-soliton solutions of the resulting modified nonlinear Schr?dinger (NLS) equation are presented. Nonlinearity- and dispersion-induced critical points on the polariton dispersion curve are obtained, separating regions with different solutions. Received 2 October 2001 / Received in final form 23 May 2002 Published online 2 October 2002 RID="a" ID="a"e-mail: Stoychev@issp.bas.bg     

Kink solutions of the classical transverse field Ising chain

We investigate stationary and travelling wave solutions of the classical one-dimensional transverse field Ising model. Results are given on the existence, shape and stability of kink solutions and periodic solutions. We review recent analytical results (e.g., the proof of existence of a one-parameter family of stationary kink solutions and the proof of existence of travelling wave kink solutions with nonzero velocity c≠ 0) and extend them by the use of numerical methods. Small oscillations arising in the tails of travelling kink solutions are investigated numerically. In the end, stability analysis puts some light on pinning effects. Received 23 February 2001 and Received in final form 4 October 2001     

Defects in III–V semiconductor surfaces

This work reports the measurement of the nano-scale physical properties of surface vacancies and the extraction of the types and concentrations of dopant atoms and point defects inside compound semiconductors, primarily by cross-sectional scanning tunneling microscopy on cleavage surfaces of III–V semiconductors. The results provide the basis to determine the physical mechanisms governing the interactions, the formation, the electronic properties, and the compensation effects of surface as well as bulk point defects and dopant atoms. Received: 10 May 2001 / Accepted: 23 July 2001 / Published online: 3 April 2002     

The two dimensional classical anisotropic Heisenberg ferromagnetic model with nearest- and next-nearest neighbor interactions

We use the self-consistent harmonic approximation (SCHA) to study the two-dimensional classical Heisenberg anisotropic (easy-plane) ferromagnetic model including nearest- and next-nearest neighbor exchange interactions. For temperatures much lower than the Kosterlitz-Thouless phase transition temperature T _KT, spin waves must be the most relevant excitations in the system and the SCHA must account for its behavior. However, for temperatures near T _KT, we should expect vortex pairs to be quite important. The effect of these vortex excitations on the phase transition temperature is included in our theory as a renormalization of the exchange interactions. Then, combining the SCHA theory to the renormalization effect due to vortex pairs, we calculate the dependence of T _KT as a function of the easy-plane anisotropies and exchange interactions. Received 3 April 2001 and Received in final form 20 September 2001     

Fragmentation of relativistic oxygen nuclei in interactions with a proton

The data on investigation of inelastic interactions of ¹⁶O nuclei in a hydrogen bubble chamber at an incident momentum of 3.25 A GeV/c are presented. Separate characteristics as fragments isotope composition and topological cross-sections of fragmentation channels are given. The processes of formation of light fragments and unstable nuclei, and the break-up of the ¹⁶O nucleus into multicharge fragments are investigated. A comparison between the experimental data and the calculations of the cascade fragmentation evaporation model (CFEM) is made. The observed singularities of the interactions point out the important role of the nucleus α-cluster structure in the formation of the final products. Received: 9 January 2001 / Accepted: 13 June 2001     

Bose-Einstein transition in a dilute interacting gas

We study the effects of repulsive interactions on the critical density for the Bose-Einstein transition in a homogeneous dilute gas of bosons. First, we point out that the simple mean field approximation produces no change in the critical density, or critical temperature, and discuss the inadequacies of various contradictory results in the literature. Then, both within the frameworks of Ursell operators and of Green's functions, we derive self-consistent equations that include correlations in the system and predict the change of the critical density. We argue that the dominant contribution to this change can be obtained within classical field theory and show that the lowest order correction introduced by interactions is linear in the scattering length, a, with a positive coefficient. Finally, we calculate this coefficient within various approximations, and compare with various recent numerical estimates. Received 15 July 2001     

Density matrix renormalization group studies on one-dimensional -conjugated organic ferromagnet with side radicals

By using the density matrix renormalization group (DMRG) and the self-consistent numerical method, we obtain a high spin ground state with localized spin density describing spin localization and the soliton describing the distortion of the lattice configurations along the main chain. Different electron-phonon interactions result in different configurations of solitons. When the electron-phonon coupling along the main chain is larger than a critical value , a transition from a single soliton-like distortion to a pair of soliton-like distortions along the main chain takes place. Such critical value depends mainly on the intersite Coulomb interactions. The spin density wave along the main chain is always localized around the center of soliton-like distortions. Received 2 July 2001 and Received in final form 25 September 2001     

Entanglement and the factorization-approximation

For a bi-partite quantum system defined in a finite dimensional Hilbert-space we investigate in what sense entanglement change and interactions imply each other. For this purpose we introduce an entanglement-operator, which is then shown to represent a non-conserved property for any bi-partite system and any type of interaction. This general relation does not exclude the existence of special initial product states, for which the entanglement remains small over some period of time, despite interactions. For this case we derive an approximation to the full Schr?dinger-equation, which allows the treatment of the composite systems in terms of product states. The induced error is estimated. In this factorization-approximation one subsystem appears as an effective potential for the other. A pertinent example is the Jaynes-Cummings model, which then reduces to the semi-classical rotating wave approximation. Received 8 June 2001     

Stabilization of the long-range magnetic ordering by dipolar and magnetoelastic interactions in two-dimensional ferromagnets

The possibility of the long-range magnetic order stabilization in two-dimensional ferromagnets with the account of dipolar and magnetoelastic interactions is investigated. The mechanisms of the magnetic order stabilization by both types of interactions are studied. The Curie temperature is estimated. The comparisons with experimental data are made. Received 22 June 2001 and Received in final form 17 January 2002     

Electrophoresis of a charge-inverted macroion complex: Molecular-dynamics study

We have performed molecular-dynamics simulations to study the effect of an external electric field on a macroion in the solution of multivalent Z : 1 salt. To obtain plausible hydrodynamics of the medium, we explicitly make the simulation of many neutral particles along with ions. In a weak electric field, the macroion drifts together with the strongly adsorbed multivalent counterions along the electric field, in the direction proving inversion of the charge sign. The reversed mobility of the macroion is insensitive to the external field, and increases with salt ionic strength. The reversed mobility takes a maximal value at intermediate counterion valence. The motion of the macroion complex does not induce any flow of the neutral solvent away from the macroion, which reveals screening of hydrodynamic interactions at short distances in electrolyte solutions. A very large electric field, comparable to the macroion unscreened field, disrupts charge inversion by stripping the adsorbed counterions off the macroion. Received 5 December 2001 and Received in final form 10 April 2002     

Optical limiting in cobalt-doped polyvinylpyrrolidone

The results of optical limiting investigations of cobalt-doped polyvinylpyrrolidone solutions are presented. The optical limiting studies have shown that this process is due to self-defocusing at the wavelength of 1064 nm and also due to reverse saturable absorption and self-defocusing at the wavelength of 532 nm. The results of measurements on the non-linear optical characteristics of organometallic complexes are presented. Received: 10 July 2001 / Revised version: 15 October 2001 / Published online: 29 November 2001     

Mammalian cell traces – morphology, molecular composition, artificial guidance and biotechnological relevance as a new type of “bionanotube”

During locomotion, adherently growing cells release highly ordered structures consisting of filaments and patches often dendritically organised. Such traces can be re-incorporated by the donor cell or disconnected and lost. Here, we present the results of a three-year research programme into trace formation and structural organisation including the influence of substrate surface properties. Some phenomena may, ultimately, have medical or technological applications. These include: (i) the deposition and re-incorporation of cellular material as cells move forward and backward; (ii) the ability of cells to differentiate between their own and foreign traces; (iii) the presence of receptors in the intact membrane envelope of filaments and patches; and (iv) the cytoplasmic content of patches. Trace formation is physiologically controlled and a characteristic of many types of actively migrating higher animal and human cells. Possible applications and perspectives are discussed and the importance of cell-trace elements as “bionanotubes” and biological submicron compartments of cells is explained. Received: 5 February 2001 / Accepted: 6 February 2001 / Published online: 23 May 2001