Comparison of the band alignment of strained and strain-compensated GaInNAs QWs on GaAs and InP substrates

We present a comparison of the band alignment of the Ga_1−xIn_xN_yAs_1−y active layers on GaAs and InP substrates in the case of conventionally strained and strain-compensated quantum wells. Our calculated results present that the band alignment of the tensile-strained Ga_1−xIn_xN_yAs_1−y quantum wells on InP substrates is better than than that of the compressively strained Ga_1−xIn_xN_yAs_1−y quantum wells on GaAs substrates and both substrates provide deeper conduction wells. Therefore, tensile-strained Ga_1−xIn_xN_yAs_1−y quantum wells with In concentrations of x0.53 on InP substrates can be used safely from the band alignment point of view when TM polarisation is required. Our calculated results also confirm that strain compensation can be used to balance the strain in the well material and it improves especially the band alignment of dilute nitride Ga_1−xIn_xN_yAs_1−y active layers on GaAs substrates. Our calculations enlighten the intrinsic superiority of N-based lasers and offer the conventionally strained and strain-compensated Ga_1−xIn_xN_yAs_1−y laser system on GaAs and InP substrates as ideal candidates for high temperature operation.     

Structure of the heavy electron compounds Ce(Cu x Al1-x )5 and Ce(Cu x Ga1-x )5, [0.6≦x≦0.8]

Neutron powder diffraction measurtements on the recently discovered heavy electron compounds Ce(Cu _x Al_1-x )₅ and Ce(Cu _x Ga_1-x )₅ show that Al or Ga atoms in these compounds locate exclusively on the 3g sites of space groupP6/mmm. Further Rietveld analysis shows that these atoms on the 3g sites are disordered.     

Generalized Linear Mixing Rule for Classical Coulomb Mixtures

It is shown that the Coulomb energy U of fully ionized ionic mixture can be written as a sum over partial contributions of ion species j: U = T Σ_j N_ju (Γ_j, y_j) (generalized linear mixing rule). In contrast to the traditional linear mixing rule U_LM = T Σ_j N_ju_OCP(Γ_j), applicable for strong coupling, the partial contribution function u depends not only on Γ_j, but on an additional parameter y_j = (r_D/r_D^OCP)² also. Here r_D and r_DOCP are Debye radiuses in the mixture and in the one component plasma at coupling parameter Γ_j, correspondingly. The parameter y_j does not depend on a specific composition of the mixture, but on the Debye radius r_D only, making function u (Γ_j, y_j) universal. The generalized linear mixing rule can be applied at any coupling parameter, if ionic mixture is not crystallized. It reproduces results of the Debye‐Hückel theory at weak coupling and traditional linear mixing rule at strong coupling. It can be easily applied to the complicated mixtures, composed of a large number of ion species. Since y_j is temperature independent, the Coulomb contribution to Helmholtz free energy of the mixture can also be presented in a form of generalized linear mixing rule (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Differential Geometry from Differential Equations

We first show how, from the general 3rd order ODE of the form , one can construct a natural Lorentzian conformal metric on the four-dimensional space . When the function satisfies a special differential condition the conformal metric possesses a conformal Killing field, , which in turn, allows the conformal metric to be mapped into a three dimensional Lorentzian metric on the space ) or equivalently, on the space of solutions of the original differential equation. This construction is then generalized to the pair of differential equations, z _ss =S(z,z _s ,z _t ,z _st ,s,t) and z _tt =T(z,z _s ,z _t ,z _st ,s,t), with z _s and z _t the derivatives of z with respect to s and t. In this case, from S and T, one can again, in a natural manner, construct a Lorentzian conformal metric on the six dimensional space (z,z _s ,z _t ,z _st ,s,t). When the S and T satisfy differential conditions analogous to those of the 3^rd order ode, the 6-space then possesses a pair of conformal Killing fields, and which allows, via the mapping to the four-space of (z,z _s ,z _t ,z _st ) and a choice of conformal factor, the construction of a four-dimensional Lorentzian metric. In fact all four-dimensional Lorentzian metrics can be constructed in this manner. This construction, with further conditions on S and T, thus includes all (local) solutions of the Einstein equations. Received: 10 October 2000 / Accepted: 26 June 2001     

Investigation of the mass dependence of self-diffusion coefficients by molecular dynamics calculations: binary and ternary isotopic mixtures of atoms

Extensive molecular dynamics calculations have been used to study for the first time systematically the dependence of the self-diffusion coefficients D_i (i = 1, 2, 3) in binary and ternary atomic isotopic mixtures on the particle mass ratios m*₂ = m ₂/m ₁ and m*₃ = m ₃/m ₁ at different reduced temperatures T* and reduced particle number densities n*, using a Lennard-Jones 12-6 potential and a hard-soft-spheres potential. In addition, the dependence of D_i values of binary mixtures on the mole fraction x ₁ = 1—x ₂ was also investigated for some thermodynamic states. The calculated values of D_i can be represented quantitatively by exponential estimates of the form D_i = D* _i (m*₂)^ex _i in the case of binary mixtures and D_i = D ⁰ _i (m*₂)^{ex _i} (m ₃)^{ext _i} in the case of ternary mixtures. D ⁰ _i are the self-diffusion coefficients in reference mixtures of mass ratios m*₂ = m*₃ = 1. The dependence of the exponents ex _i (m*₂, T*, n*, x ₁) of binary mixtures on m*₂, T*, n*, and x ₁ and the dependence of the exponents ext _i (m*₂, m*₃, n*) of equimolar ternary mixtures at T* = 1.8 on the exponents ex _i of the constituent binary mixtures and on m*₂, m*₃, and n* are discussed.     

Phase diagram of the Kondo necklace model with planar and local anisotropies

We present a detailed temperature-dependent Raman light scattering study of optical phonons in molecular-beam-epitaxy-grown films of the electron-doped superconductor La_{2 -x} Ce _x CuO₄ close to optimal doping (x ~ 0.08, T _c = 29 K and x ~ 0.1, T _c = 27 K). The main focus of this work is a detailed characterization and microstructural analysis of the films. Based on micro-Raman spectroscopy in combination with X-ray diffraction, energy-dispersive X-ray analysis, and scanning electron microscopy, some of the observed phonon modes can be attributed to micron-sized inclusions of Cu₂O. In the slightly underdoped film (x ~ 0.08), both the Cu₂O modes and others that can be assigned to the La_{2 -x} Ce _x CuO₄ matrix show pronounced softening and narrowing upon cooling below T ~ T _c . Based on control measurements on commercial Cu₂O powders and on a comparison to prior Raman scattering studies of other high-temperature superconductors, we speculate that proximity effects at La_{2 -x} Ce _x CuO₄/Cu₂O interfaces may be responsible for these anomalies. Experiments on the slightly overdoped La_{2 -x} Ce _x CuO₄ film (x ~ 0.1) did not reveal comparable phonon anomalies.     

块体非晶合金的黏度与玻璃形成能力的关系

基于经典结晶理论讨论了非晶合金的晶化动力学因素和晶化热力学因素对玻璃形成能力（GFA）的影响.分析表明,合金的等温转变（TTT）曲线“鼻尖”温度T_n对应的黏度与晶化阻力因子成正比;重新加热时晶化开始温度T_x对应的黏度与晶化驱动力因子成反比.由此得到了新的GFA参数ω₀=（T_g-T₀）/（T_x-T₀）-（T_g-T₀）/（T_n-T₀）,其中T_g为玻璃转变温度,T₀为理想玻璃转变温度.统计结果显示,ω₀与临界冷却速率具有较高的相关性,R²高达09626.进一步分析表明：新提出的ω₀参数可以合理地解释过冷熔体的黏度、脆性、液相稳定性、热稳定性以及T_rg、ΔT_x、γ、γ_m、ΔT_rg、α、β、δ和φ等参数与GFA的关系. 关键词： 块体非晶合金 黏度 脆性 玻璃形成能力     

YBa2Cu3O7-x涂层导体的外延生长和性能对CeO2缓冲层的依赖性

利用倾斜衬底沉积法在无织构的金属衬底上生长了MgO双轴织构的模板层,在这一模板层上实现了YBa₂Cu₃O_7-x薄膜的外延生长.在外延YBa₂Cu₃O_7-x薄膜前,依次沉积了钇稳定的立方氧化锆和CeO₂作为缓冲层.利用X射线衍射2θ扫描、扫描、Ω扫描和极图分析测定了这些膜的结构和双轴织 关键词： 2Cu₃O_7-x镀膜导体')" href="#">YBa₂Cu₃O_7-x镀膜导体 2缓冲层')" href="#">CeO₂缓冲层 厚度依赖性 外延生长     

The proton relaxation of CH3OD in the presence of Co(II) ions,as studied by spin-echo techniques

By measurement of the proton relaxation times T ₁ and T ₂ of CH₃OD containing Co⁺⁺ ions in dilute solution and the dependence of the observed decay time (T ₂ ^?) on t _ep the separation between pulses in a Carr-Purcell sequence the coordination number is shown to be six. Since this result has previously been obtained by an independent method, the use of the dependence of T ₂ ^? on t _ep to determine coordination numbers is justified for solutions of paramagnetic ions. The validity of analytical expressions derived previously has been checked by numerical methods, and the analytical expression is shown to be valid even in the presence of H ₀ and H ₁ inhomogeneity and inaccurate pulses of finite duration, provided that the Meiboom-Gill method is used. In an Appendix insight derived from the results of the numerical solutions is used to give a brief derivation of the dependence of T ₂ ^? on H ₀, exchange rate and t _ep.     

Monte Carlo simulation of ramified aggregates onhetero-substrates

We have studied the aggregation of particles on a hetero-substrate consisting of two different substrates A and B with finite surface barriers E_AB and E_BA between the AB and BA boundaries, respectively. With the diffusion energy limited aggregation (DELA) model, we find that the number of clusters and the mean radius of gyration of the clusters are dependent on the surface barriers E_AB and E_BA. For the case with a constant of E_BA, a series of minima are summarized as E_AB= (E₀- k_BAE_BA)/ k_AB with k_AB and k_BA being two integers, for main minima (k_BA=k_AB- 1) and two local minima (k_BA=k_AB and k_BA=k_AB + 1) between two neighbouring main minima.     

Structural,magneto and optical properties of BX − 1NXC and BXNX − 1C cages (X = 12, 24 and 36)

The effect of carbon doping on the structural, optical and magneto properties of the B_XN_X cages has been studied using the B3LYP/6-31G^* level of density functional theory. With replacing one B or N atom with one C atom on the B_XN_X cages, the structural and symmetric properties, the optical absorption spectra and the band gaps of the B_XN_X cages change and the B_XN_X cages become magnetic. Our calculations conclude that the B_{X ? 1}N_XC and B_XN_{X ? 1}C cages can be interesting candidates for application in optoelectronics and spintronics.     

Effective Action in Multidimensional (Super)Gravities and Spontaneous Compactification (Quantum Aspects of Kaluza-Klein Theories)

The review of modern status of problem of quantum effects in Kaluza-Klein theories is given. The effective action (EA) in multidimensional (super)gravities (SG's) on the compactified background is investigated. The standard gauge dependent EA in d=5 Einstein gravity and d=5 R²-gravity on the background R₄ × S₁, where R₄ is 4-dimensional space, S₁ is one-dimensional sphere is calculated. Gauge and parametrization independent Vilcovisky-De Witt EA in d=5 Einstein gravity and d=5 R²-gravity on the background R₄×S₁ at zero and non-zero temperature is obtained. We have found that there are no physically acceptable self-consistent solutions of the form R₄×S₁ at the one-loop level in d=5 Einstein gravity. We calculated also EA for arbitrary multidimensional SG on the background R₄×T_d-n where T_d is d-dimensional torus as expansion on the curvature and its derivatives. The mechanizm of induced of four-dimensional gravity with zero Λ-term is proposed. The Vilcovisky-De Witt EA in d=5 SG's on the background R₄×S₁ at non-zero temperature is obtained. The three gauge parameter dependent off-shell EA in N=2, d=5 gauged SG on R₄⁰×S₁ where R₄⁰ is flat four-dimensional space is calculated. The expression for vacuum energy for bosonic string with torus compactification is presented. Vacuum energy for superstrings with supersymmetry broken as the result of choice of boundary conditions on background R₄×T₆ is calculated.     

非对称量子点中磁极化子性质的磁场和温度依赖性

采用Tokuda线性组合算符法和Lee-Low-Pines变换法,研究了温度和磁场对非对称抛物量子点中强耦合磁极化子性质的影响,简捷地得到了作为量子点的横向受限强度ω₁、纵向受限强度ω₂、电子-声子耦合强度α、外磁场的回旋频率ω_c和温度参数γ的函数的磁极化子的振动频率λ、基态能量E₀和有效质量m 关键词： 非对称量子点 强耦合磁极化子 磁场和温度依赖性     

Evaluation of Effect of Plastic Injection Molding Process Parameters on Shrinkage Based on Neural Network Simulation

The effects of process parameters, mold temperature (T _mo), melt temperature (T _me), cooling time (t_c ), fill pressure (P_f ), packing pressure (P_p ), and packing time (t_p ) on the shrinkage of injection molded polypropylene were investigated by utilizing a combination of the Artificial Neural Network (ANN) method and Moldflow software. An ANN model is developed to understand the relationship between plastic injection molding process parameters and shrinkage. The test results on the performance of the ANN model show that it can predict the shrinkage with reasonable accuracy. The simulation results show that the most important process parameter affecting shrinkage is P_p , followed by T _me and T _mo, with t_c , P_f , and t_p having the least effect. Shrinkage increases with the elevated T _mo and t_c . In contrast, the increases in P_p , T_me , t_p , and P_f cause shrinkage to decrease. The strongest effect on the shrinkage is the amount of material forced into the mold, followed by the crystallinity and orientation of the material.     

Differing Averaged and Quenched Large Deviations for Random Walks in Random Environments in Dimensions Two and Three

We consider the quenched and the averaged (or annealed) large deviation rate functions I _q and I _a for space-time and (the usual) space-only RWRE on \mathbbZ^d{\mathbb{Z}^d} . By Jensen’s inequality, I _a  ≤ I _q . In the space-time case, when d ≥ 3 + 1, I _q and I _a are known to be equal on an open set containing the typical velocity ξ _o . When d = 1 + 1, we prove that I _q and I _a are equal only at ξ _o . Similarly, when d = 2 + 1, we show that I _a  < I _q on a punctured neighborhood of ξ _o . In the space-only case, we provide a class of non-nestling walks on \mathbbZ^d{\mathbb{Z}^d} with d = 2 or 3, and prove that I _q and I _a are not identically equal on any open set containing ξ _o whenever the walk is in that class. This is very different from the known results for non-nestling walks on \mathbbZ^d{\mathbb{Z}^d} with d ≥ 4.     

Baric changes in refractive indices of K<Subscript>2</Subscript>ZnCl<Subscript>4</Subscript> crystals

The influence of uniaxial pressure applied along the principal crystallophysical directions on the dispersion and temperature dependences of the refractive indices n _i of K₂ZnCl₄ crystals has been investigated. The n _i values are found to be fairly sensitive to uniaxial pressure, whereas an uniaxial stress does not change the behavior of the dispersion and temperature dependences of n _i . The baric changes in n _i have been studied. The electronic polarizability α _i , refractions R, and parameters of UV oscillators (λ_0i , B _1i ) of mechanically deformed K₂ZnCl₄ crystals have been calculated. The contributions of UV and IR oscillators to n _i (λ) have been estimated for different temperatures, spectral regions, and stresses. A significant baric shift of the points of the paraelectric phase-incommensurate phase-commensurate phase transitions to different temperature ranges, depending on the direction of pressure application, is found; this shift is due to the effect of uniaxial stress on the K₂ZnCl₄ crystal structure.     

Braid group action on theq-Weyl algebra

We provide a braid group action on theq-deformed Weyl algebraW _q (n). The restriction of this action to the representations ofU _q (A _n–1 ) andU _q (C _n ) inW _q (n) is seen to agree with the braid group action introduced by Lusztig on these quantum algebras.Supported in part by the National Sciences and Engineering Research Council (NSERC) of Canada.     

Theoretical prediction of structural, electronic and optical properties of quaternary alloy Zn1-xBexSySe1-y

Within density functional theory based on the full potential-linearized augmented plane wave method, we carry out the first-principles calculation of the structural, electronic, and optical properties of the zinc blende quaternary alloy Zn_1-xBe_xS_ySe_1-y. The Perdew-Burke-Ernzerhof generalized gradient approximation based on the optimization of total energy and the Engel-Vosko generalized gradient approximation based on the optimization of the corresponding potential are used. Our investigation on the effect of the composition on lattice constants, bulk modulus, band gap, optical dielectric constant, and refractive index shows a non-linear dependence. The energy gap E_g(x, y) has been determined over the entire compositions x and y. In addition, the energy band gap of the technologically important quaternary alloy Zn_1-xBe_xS_ySe_1-y in conditions of being lattice matched to ZnS substrate has been investigated. It is noteworthy that the present work is the first theoretical study of the quaternary alloy of interest.     

Experimental and theoretical studies of optical properties on alloys of the intermetallic systems Li2Ag2−x In x and Li2Cd2−x In x

X-ray and neutron diffraction experiments and optical studies were done on several alloys of the quasibinary series Li₂Ag_2−x In _x , Li₂Cd_2−x In _x , and Li₂Zn_2−x Cd _x . Within a wide region the alloys crystallize homogenous in an NaTl-type structure (1≦x≦1.5 for Li₂Ag_2−x In _x ; 0.6≦x≦1 for Li₂Cd_2−x In _x ; 1.2≦x≦1.6 for Li₂Zn_2−x Cd _x ). Most of the alloys investigated are colored and the color changes continuously as a function ofx. Measurements of the reflectivityr and the dielectric constants (ɛ₁ and ɛ₂) were done in the energy range 1.5 eV≦E≦3.3 eV by the method of elliptical analysis. In this energy range the curvesr(E) have minima which shift with increasingx to lower energy values. Calculations of the energy bands of LiAg, LiIn, LiCd, and Li₂AgIn on the basis of the augmented plane wave method and the determination of the joint density show that the optical data can be interpretated on the assumption of interband transitions between the valence and the conduction bands and of transitions between the 4d-bands of silver and the energy states at the Fermi level.     

Pressure effects on the semiconductor-semimetal transition in Ti2O3

Hydrostatic pressure has negligible effect on the resistivity anomaly and thec _H /a _H ratio of Ti₂O₃. The results are consistent with the band-crossing mechanism wherein the a ^T and e ^T bands cross as thec _H /a _H ratio increases.