Thermal step bunching on the restricted solid-on-solid model with point contact inter-step attractions

We present the restricted solid-on-solid (RSOS) model with the inter-ledge interaction of the point contact type (p-RSOS model). We have made detailed calculation of the Andreev free energy , which is similar to the equilibrium crystal shape (ECS) z=z(x,y), and the surface gradient as the function of the Andreev field . From the calculated and , we have obtained the vicinal surface free energy . The inter-ledge attraction between adjacent steps affects the surface free energies in the equilibrium, and causes the first-order transition on the profile of ECS at low temperature. The inter-ledge attraction also destabilizes the regular train of steps. We also have obtained the thermal step bunching.     

Anisotropy analysis of the surface stress and surface energy in Cu surfaces with the modified embedded atom method

Taking Cu as an example, the surface stress and surface energy in three low index surfaces and two families of representative surfaces and belong to [0 0 1]- and -rotating axis respectively, have been calculated using MEAM. For the three low index surfaces, the decrease in the surface energy is small after relaxation, while the surface stresses in the surface planes τ_xx and τ_yy show opposite changes (decreasing and increasing) for inward and outward relaxations. The resulting relaxation direction is related to the normal stress τ_zz before relaxation. For the surfaces of the and families, with the increasing angle α (between the and (1 0 0) planes, and between and (0 0 1) planes, respectively), the surface stress and surface energy go through an oscillatory change. The surface stress and surface energy are symmetric about the planes (1 0 0), (1 1 0) and (0 1 0) at α=0^°, 45^° and 90^°, and about the planes (0 0 1) and (1 1 0) at α=0^° and 90^° respectively, due to crystal symmetry.     

Random walks and diameter of finite scale-free networks

Dynamical scalings for the end-to-end distance R_ee and the number of distinct visited nodes N_v of random walks (RWs) on finite scale-free networks (SFNs) are studied numerically. 〈R_ee〉 shows the dynamical scaling behavior , where is the average minimum distance between all possible pairs of nodes in the network, N is the number of nodes, γ is the degree exponent of the SFN and t is the step number of RWs. Especially, in the limit t→∞ satisfies the relation , where d is the diameter of network with for γ≥3 or for γ<3. Based on the scaling relation 〈R_ee〉, we also find that the scaling behavior of the diameter of networks can be measured very efficiently by using RWs.     

Origin of photoluminescence in nanocrystalline Si:H films

We have studied the origin of photoluminescence (PL) from hydrogenated nanocrystalline silicon (nc-Si:H) films produced by a plasma-enhanced chemical vapor deposition technique using SiF₄/SiH₄/H₂ gas mixtures. The nc-Si:H films were characterized using X-ray diffraction, infrared, Raman spectroscopy, optical absorption and stress, and were examined for PL by varying the deposition temperature (T_d) under two different hydrogen flow rate ([H₂]) conditions. The PL exhibited two peaks at around 1.7-1.75 and 2.2-2.3 eV. The peak energy, E_PL, of the 1.7-1.75-eV PL band was found to shift as T_d or [H₂] changes. It was found that the decrease in T_d acts to decrease the average grain size, 〈δ〉, and to increase both the optical band gap, , and the E_PL values. By contrast, the increase in [H₂] decreased the 〈δ〉 value, while increased the values of and E_PL. Thus, as either T_d decreases or [H₂] increases, it is found that a decrease in 〈δ〉 corresponds well with increases in and E_PL. As a consequence, it was suggested that an increase in E_PL of the 1.7-1.75-eV PL band can be connected with an increase in , through a decrease in 〈δ〉. However, the PL process cannot be connected with the transition between both the bands, related to formation of nanocrystals. Based on these results, it was proposed that the use of both low T_d and high [H₂] conditions would allow to grow nc-Si:H films with small grains.     

Effect of exchange-coupling interaction on anisotropy of grain in nanoscaled magnets

The effect of inter-grain exchange-coupling interaction on the anisotropy of grain in nanoscaled magnets has been investigated by putting forward an expression of anisotropy at grain boundary, , which is suitable for different coupling conditions, and expresses well the coherency between soft and hard grains. The average anisotropy of grain 〈K^ij〉 has been calculated based on and the theory of partial exchange-coupling interaction. It has been found that the average anisotropy of hard or soft grain, 〈K^hh〉 or 〈K^ss〉, increases with increasing grain size D monotonously when hard-hard or soft-soft grains couple. When soft-hard grains touch each other, with increasing D, the variation of average anisotropy of soft-hard grain 〈K〉 depends on the anisotropy at grain interface , which denotes the affection degree of hard grain on the anisotropy of soft grain. Compared with other results, it is more reasonable that ranges from to . The variations of anisotropy with D we calculated are consistent with those of coercivities given by other authors when is fixed in a certain range.     

New chalcogenide glasses in the Ag2Te-As2Se3-CdTe system

Chalcogenide glasses from the Ag₂Te-As₂Se₃-CdTe system were synthesized. The basic physicochemical parameters such as density (d), microhardness (HV) and the temperatures of phase transformations (the glass transition T_g, crystallization T_cr and melting T_m) were measured. Compactness and some thermomechanical characteristics such as volume (V_h) and formation energy (E_h) of micro-voids in the glassy network, as well as the module of elasticity E were calculated. The overall mean bond energy 〈E〉, the mean coordination number Z, the mean bond energy of the average cross-linking/atom and the average bond energy per atom of the “remaining matrix”— and , as well as the average heteropolar bond energy E_hb, the degree of “cross-linking/atom” P_p and the radial bond strength were determined.The correlation between the composition and properties of the Ag₂Te-As₂Se₃-CdTe glasses was established and comprehensively discussed.     

GaN/LiNbO3 (0 0 0 1) interface formation calculated from first-principles

The stable adsorption sites for both Ga and N ions on the ideal and on the reconstructed LiNbO₃ (0 0 0 1) surface are determined by means of first-principle total energy calculations. A single N layer is found to be more strongly bound to the substrate than a single Ga layer. The adsorption of a GaN monolayer on the polar substrate within different orientations is then modeled. On the basis of our results, we propose a microscopic model for the GaN/LiNbO₃ interface. The GaN and LiNbO₃ (0 0 0 1) planes are parallel, but rotated by 30° each other, with in-plane epitaxial relationship [1 0 0]_GaN‖ [1 1  0]_LiNbO3. In this way the (0 0 0 1) plane lattice mismatch between GaN and LiNbO₃ is minimal and equal to 6.9% of the GaN lattice constant. The adsorbed GaN and the underlying LiNbO₃ substrate have parallel c-axes.     

Diffusion behaviour of Nb in yttria-stabilized zirconia single crystals: A SIMS, AFM and X-ray reflectometry investigations

Using secondary ion mass spectrometry (SIMS) we have investigated the concentration vs. depth profile of Nb, thermally diffused into (1 0 0)-oriented yttria-stabilized zirconia (YSZ) single crystal substrates. The surface morphology of Nb films and YSZ substrates was analyzed using atomic force microscopy (AFM). The structural disorder and the interface configuration of the samples were investigated by X-ray reflectometry (XRR). Two kinds of substrates were used: as-received (AR) and reduced (R) ones. The R-substrates were obtained by thermal annealing of AR-substrates in air for 2 h at 1250 °C. The bulk diffusion coefficients D_T in the temperature range of 780-1000 °C, activation energy Q, and the pre-exponential factor, D₀, have been obtained for Nb in YSZ. For the AR single crystals, the results can be well represented by the expression:

     

Quantum tomograms from intermediate entangled states

We show that for quantum tomography there exist two mutually conjugating intermediate coordinate-momentum entangled states |η₁,η_2〉λ,ν and |?₁,?_2〉σ,τ. The Radon transforms of the Wigner operators are just the pure-state density matrices and , respectively. As a result, the tomogram of quantum states is the module-square of their wave function in these representations. A new convenient formalism of quantum tomogram is thus established.     

Measurements of insulator band parameters using combination of single-electron and two-electron spectroscopy

We describe the application of low energy time-of-flight coincidence (e,2e) spectroscopy for measurements of the energy band parameters of a dielectric. The (e,2e) spectrometer can operate also in a single-electron mode by switching off coincidence conditions, and can be used for recording electron energy loss spectra (EELS). Thus, the combination of (e,2e) and EELS allows the measurement of energy gap E_g, valence bandwidth ΔE_val, electron affinity χ and excitonic levels position E_ex of a dielectric. The energy band parameters of LiF film deposited on Si(001) surface are measured: ΔE_val=      

The kinetic energy dependent effective Debye temperature for CoS2 (100)

The effective Debye temperatures of the highly spin-polarized material CoS₂ were measured using temperature dependent low energy electron diffraction and shown to be dependent upon electron kinetic energy. The normal dynamic motion of the (100) surface results in the effective surface Debye temperature of compared to a bulk Debye temperature of . Similar values for the bulk Debye temperature have been obtained through LEED I(V) analysis and core level photoemission with a lower value for the bulk Debye temperature found from heat capacity measurements.     

Compositional dependence of the physical properties in a-Ge-Se-In glassy semiconductor

Physical properties viz. mean bond energy (〈E〉), glass transition temperature (T_g), cohesive energy (CE), average heat of atomization , density (ρ), molar volume (V_m) and compactness (δ) of Ge₂₀Se_80−xIn_x (x=0, 5, 10, 15, 20) bulk glassy alloys have been examined theoretically. Mean bond energy (〈E〉) is proportional to glass transition temperature (T_g). The cohesive energy (CE) of the investigated samples has been calculated using the chemical bond approach (CBA) method. The relation between photon energy (E₀₄) is discussed in terms of average heat of atomization and average coordination number (〈r〉). The compactness (δ) of the structure of the glass is determined from measured density of the glasses in order to display the chemical threshold in the system using Phillips-Thorpe topological models. Maximum of the compactness has been observed at floppy to rigid transition point occurring in networks. Molar volume (V_m) has been calculated from the experimentally measured densities and on the basis of number of atoms per unit volume (N); V_m follows the same trend as that of optical band gap.     

A simple mathematical model for anomalous diffusion via Fisher's information theory

Starting with the relative entropy based on a previously proposed entropy function , we find the corresponding Fisher's information measure. After function redefinition we then maximize the Fisher information measure with respect to the new function and obtain a differential operator that reduces to a space coordinate second derivative in the q→1 limit. We then propose a simple differential equation for anomalous diffusion and show that its solutions are a generalization of the functions in the Barenblatt-Pattle solution. We find that the mean squared displacement, up to a q-dependent constant, has a time dependence according to 〈x²〉∼K1/qt1/q, where the parameter q takes values (superdiffusion) and (subdiffusion), ∀n?1.     

Statistical properties of volatility return intervals of Chinese stocks

The statistical properties of the return intervals τ_q between successive 1-min volatilities of 30 liquid Chinese stocks exceeding a certain threshold q are carefully studied. The Kolmogorov-Smirnov (KS) test shows that 12 stocks exhibit scaling behaviors in the distributions of τ_q for different thresholds q. Furthermore, the KS test and weighted KS test show that the scaled return interval distributions of 6 stocks (out of the 12 stocks) can be nicely fitted by a stretched exponential function with γ≈0.31 under the significance level of 5%, where is the mean return interval. The investigation of the conditional probability distribution P_q(τ|τ₀) and the mean conditional return interval 〈τ|τ₀〉 demonstrates the existence of short-term correlation between successive return interval intervals. We further study the mean return interval 〈τ|τ₀〉 after a cluster of n intervals and the fluctuation F(l) using detrended fluctuation analysis, and find that long-term memory also exists in the volatility return intervals.     

Antiresonance of electron tunneling through a four-quantum-dot ring with two side-coupled quantum dots

Making use of the equation of motion method and Keldysh Green function technique, we obtain the current formula for a two-terminal four-quantum-dot-ring with two side-coupled quantum dots under a DC bias voltage. Antiresonance and resonance of electron tunneling is studied by numerical calculations. Only when the quantum dots in the ring has the same single electron energy level with that of the side-coupled quantum dots, i.e. and both side-coupling are turned on at the same time, the antiresonance appear exactly at ε₀.     

Manley-Rowe relations for an arbitrary discrete system

Manley-Rowe relations are formulated for a discrete Hamiltonian system with an arbitrary number of resonances. Assuming that the resonances are defined as , where is an n×n integer matrix of rank r<n, and |ω〉≡T(ω₁,…,ωn) is the frequency vector, the projection of the action vector |J〉 on is an adiabatic invariant. Hence n−r independent integrals, from where the conventional Manley-Rowe relations for a single resonance follow as a particular case.     

Optical phonon modes and structure of ZnGa2Se4 and ZnGa2S4

We present the infrared and Raman study of the optical phonon modes of the defective compounds ZnGa₂Se₄ and ZnGa₂S₄. Most of the compounds have been found to crystallize in the thiogallate structure (defect chalcopyrite) with space group where all cations and vacancies are ordered. For some Zinc compounds a partially disordered cationic sublattice with various degrees of cation and vacancy statistical distribution, which lead to the higher symmetry (defect stannite), has been reported. For ZnGa₂Se₄ we have found three modes of A symmetry, showing Raman activity only. In addition, we have observed each five modes of B and E symmetry, showing infrared as well as Raman activity. The number of modes and their symmetry assignment, based on polarized measurements, clearly indicate space group for the investigated crystals of ZnGa₂Se₄.Regarding ZnGa₂S₄ we have found three modes exclusively showing Raman activity (2A⊕1B₁), and only eight modes showing infrared as well as Raman activity (3B₂⊕5E). The assignment of the modes has been derived by analyzing the spectral positions of the vibrational modes in comparison to a number of compounds. From the number and symmetry assignment of the optical phonon modes we confirm that ZnGa₂S₄ most likely crystallizes in space group .