The effects of indium segregation on the valence band structure and optical gain of GaInAs/GaAs quantum wells

The effects of indium segregation on the valence band structures and the optical gain in GaInAs/GaAs quantum wells are theoretically investigated using 4×4 Luttinger–Kohn Hamiltonian matrix. The method for the band structure calculation is based on the finite difference method, then the optical gain is calculated using the density matrix approach. For segregation coefficient R less than 0.7, indium segregation has little influence on optical gain, but for segregation coefficient R more than 0.7, it has a significant influence on optical gain, the gain spectra can be blue-shifted with the increase of segregation coefficient R, and the peak gains are decreased as segregation coefficient R increases, which is mainly due to the reduction of the carrier population inversion.     

Phase behavior of a suspension of hard spherocylinders plus ideal polymer chains

We study isotropic-isotropic and isotropic-nematic phase transitions of fluid mixtures containing hard spherocylinders (HSC) and added non-adsorbing ideal polymer chains using scaled particle theory (SPT). First, we investigate isotropic-nematic (I -N phase coexistence using SPT in the absence of polymer. We compare the results obtained using a Gaussian form of the orientational distribution function (ODF) to minimize the free energy versus minimizing numerically. We find that formal numerical minimization gives results that are much closer to computer simulation results. In order to describe mixtures of HSC plus ideal chains we studied the depletion of ideal chains around a HSC. We analyze the density profiles of ideal chains near a hard cylinder and find the depletion thickness δ is a function of the ratio of the polymer's radius of gyration R_g and the cylinder radius R_c. Our results are compared with a common approximation in which the depletion thickness is taken equal to the radius of gyration of the polymer chain. We incorporate the correct depletion thickness into SPT and find that for R _g/R _c < 1.56 using ideal chains gives phase transitions at smaller polymer concentrations, whereas for R _g/R _c > 1.56 , which is a common experimental situation, the phase transitions are found at larger polymer concentrations with respect to δ = R _g . The differences are significant, especially for R _g ≫ R _c , so we can conclude it is essential to take into account the properties of ideal polymer chains and the resulting depletion near a cylinder. Finally, we present phase diagrams for rod-polymer mixtures which could be realized under experimental conditions.     

Depletion of ideal polymer chains near a spherical colloid particle beyond the Dirichlet boundary conditions

We reconsider the depletion interaction of an ideal polymer chain, characterized by the gyration radius R_G and bond length a , and an impenetrable spherical colloid particle of radius R . Forbidding the polymer-colloid penetration explicitly (by the use of Mayer functions) without any other requirement we derive and solve analytically an integral equation for the chain partition function of a long ideal polymer chain for the spherical geometry. We find that the correction to the solution of the Dirichlet problem depends on the ratios R/R _G and R/a . The correction vanishes for the continuous chain model (i.e. in the limit R/R _G → 0 and R/a → ∞ but stays finite (even for an infinite chain) for the discrete chain model. The correction can become substantial in the case of nano-colloids (the so-called protein limit).     

Modelling of grain refinement driven by negative grain boundary energy

Abstract

Grain refinement can be described by the classical kinetic equation using a negative value of the specific grain boundary Gibbs energy. A respective overview is offered reporting according observations and simulations, particularly linked to grain boundary segregation. Classical grain growth model is used in the treatment of evolution of the distribution function during refinement. The adapted model requires defining nucleation rate of new grains, which significantly influences the kinetics of the system of grains. Moreover, a jump in the distribution function is allowed at a certain value of the grain radius R_J, which separates old grains from newly nucleated ones. Evolution equation for both the critical radius R_c and separation radius R_J (jump position) as well as for the dimension-free distribution (shape) function are derived. Illustrative examples for the evolution of the system parameters under various nucleation rates of newly generated grains are presented.     

Segregation during crystal growth from melt and absorption cross section determination by optical absorption method

Segregation during crystal growth from melt under two conditions is studied by using crystal mass, which can be measured easily, as an independent variable, and a method to determine the effective segregation coefficient and absorption cross section of optical dopant is given. When the segregated solute disperses into the whole or just a part of melt homogenously, the concentration C _s in solid interface will change by different formulas. If the crystal growth interface is conical and segregated solute disperses into melt in total or part, the solute concentration at r = 2/3R, where r is the distance from the growth cross section center and R the crystal radius, is independent on the shape of the crystal growth interface, and its variation at r = 2/3R can be regarded as the result from crystal growth in flat interface. With C _s variation formula in solid and absorption cross section σ for optical dopant, the absorption coefficients along the crystal growth direction can be calculated, and the corresponding experimental value can be obtained through the crystal optical absorption spectra. By minimizing the half sum, whose independent variables are k, ΔW or σ, of the difference square between the calculated and experimental absorption coefficients from one or more absorption peaks along the crystal growth direction, k and σ, or k and ΔW, can be determined at the same time through the Levenberg-Marquardt iteration method. Finally, the effective segregation coefficient k, ΔW and absorption cross sections of Nd:GGG were determined, the results fitted by two formula gave more closed effective segregation coefficient, and the value ΔW also indicates that the segregated dopant had nearly dispersed into the whole melt. Experimental results show that the method to determine effective segregation coefficient k, ΔW and absorption cross sections σ is convenient and reliable, and the two segregation formulas can describe the segregation during the crystal growth from melt relatively commendably. Supported by the National Natural Science Foundation of China (Grant No. 50772112)     

Segregation in In x Ga1− x As/GaAs Stranski–Krastanow layers grown by metal–organic chemical vapour deposition

Using quantitative high-resolution transmission electron microscopy we studied the chemical morphology of wetting layers in In _x Ga_{1? x} As/GaAs quantum dot structures which were optimized for applications to optical devices operating around 1.3?µm. The samples are grown by low-pressure metal–organic chemical vapour deposition on GaAs substrates. The In concentration profiles of the wetting layers are evaluated with the composition evaluation by lattice fringe analysis method. The profiles reveal a clear signature of segregation. A fit of the profiles with the Muraki et al. model for segregation reveals a segregation efficiency R?=?0.65?±?0.05 at the growth temperature of 550°C, which is significantly lower than segregation efficiencies observed in samples grown by molecular beam epitaxy at similar temperatures.     

Solvation of large dipoles

A model system consisting of one strongly polar molecule dissolved in a pool of 499 moderately polar particles is studied in a molecular dynamics experiment. A pair potential of Stockmayer type is used. The structure of the solution has been analysed in terms of g(R), f(R), h _Δ(R), h _D(R), g(R, x), and Voronoi polyhedra. Solvent-solvent spatial correlations are presented and compared to solute-solvent properties already discussed in part I. Voronoi polyhedra analysis is also used to define structural relaxation around solute or solvent particles unambiguously. The dynamics of the system is described by means of angular momentum, orientational, and velocity autocorrelation functions. The solute's influence on the dynamics of the solvent is analysed by a polyhedral decomposition of time correlation functions.     

The performance of Hg1−x Zn x Te photodiodes

This paper considers the Hg_1–x Zn _x Te alloy system as a potential material for the fabrication of infrared photodiodes. The influence of different junction current components (diffusion, tunneling and depletion layer currents) on the R ₀ A product of n⁺-pHg_1–x Zn _x Te photodiodes is analysed. The upper theoretical limits of the R ₀ A product and detectivity are determined. Results of calculations are compared with experimental data reported by other authors and those measured in our laboratory. Preliminary results on related technology and the properties of Hg_1–x Zn _x Te prepared by the ion-etching technique are presented.     

因果代数及其在物理学中的应用

依据定量因果原理,给出了物理学中的一个因果代数的应用,当满足定量因果原理的互逆可消条件且又满足消去律的解时, 得到因果分解代数;由因果分解代数导出了结合律和单位元,进而导出了因果分解代数又具有群的结构特征,同时给出了这新代数系统在高能物理学中的应用.严格地给出了在高能物理中既不是群又不是环的反应,发现因果代数和因果分解代数是严格描述粒子物理反应的基本工具,得到了所有各种相加性、相乘性物理量和各种粒子反应都必须满足的统一恒等式,给出了因果代数和因果分解代数对高能物理的具体应用.利用因果代数的表示和超对称的R数,得到了含有超对称粒子反应中相乘性的超对称的P_R=(-1)^R对称性.还得到了一个关于电子自旋角动量的任意分量间的一个对称关系式,利用这对称关系式,可以化简多电子相互作用的计算.利用互逆可消条件定义了一般的逆元,可重新定义群,使群的公理减少一个,消除了重复定义. 关键词： 对称性 群论 因果原理 粒子物理     

铒离子注入碳化硅的射程和退火行为研究

用300—500 keV能量的铒(Er)离子注入碳化硅(6H-SiC)晶体中,利用卢瑟福背散射技术研究了剂量为5×10¹⁵ cm^-2 的Er离子注入6H-SiC晶体的平均投影射程R_p和射程离散ΔR_p,将测出的实验值和TRIM软件得到的理论模拟值进行了比较,发现R_p的实验值与理论值符合较好,ΔR_p的实验值和理论值差别大一些 关键词： 离子注入 投影射程和射程离散 退火行为 卢瑟福背散射技术     

Ultra-low on-resistance high voltage (>600 V) SOI MOSFET with a reduced cell pitch

A low specific on-resistance (R S,on) silicon-on-insulator (SOI) trench MOSFET (metal-oxide-semiconductor-field-effect-transistor) with a reduced cell pitch is proposed.The lateral MOSFET features multiple trenches:two oxide trenches in the drift region and a trench gate extended to the buried oxide (BOX) (SOI MT MOSFET).Firstly,the oxide trenches increase the average electric field strength along the x direction due to lower permittivity of oxide compared with that of Si;secondly,the oxide trenches cause multiple-directional depletion,which improves the electric field distribution and enhances the reduced surface field (RESURF) effect in the SOI layer.Both of them result in a high breakdown voltage (BV).Thirdly,the oxide trenches cause the drift region to be folded in the vertical direction,leading to a shortened cell pitch and a reduced R S,on.Fourthly,the trench gate extended to the BOX further reduces R S,on,owing to the electron accumulation layer.The BV of the MT MOSFET increases from 309 V for a conventional SOI lateral double diffused metal-oxide semiconductor (LDMOS) to 632 V at the same half cell pitch of 21.5 μm,and R S,on decreases from 419 m · cm 2 to 36.6 m · cm 2.The proposed structure can also help to dramatically reduce the cell pitch at the same breakdown voltage.     

The effects of indium segregation on exciton binding energy and oscillator strength in GaInAs/GaAs quantum wells

We solve analytically the Schrödinger equation taking into account the shape changes of GaInAs/GaAs quantum wells due to indium segregation during the MBE growth by using transfer matrix method. The indium compositional profiles of the quantum wells are provided using the phenomenological model. The fundamental transition energy, binding energy and oscillator strength of excitons as a function of indium segregation coefficient R$R$ and well width are studied. For narrow wells (less than 40 ML), the exciton binding energy and oscillator strength decrease, but for wide wells (larger than 40 ML), increase with increasing the segregation coefficient R$R$. It is shown that indium segregation degrades the optical properties and results in a blue-shift of exciton transition energy in GaInAs/GaAs quantum wells.     

Spectrophotometric Characteristics of Peat Having Various Origins and Degrees of Decomposition

The reflectivity of peat of different origins (13 species) in the visible spectral range (0.40–0.78 m) is investigated. The laws governing light reflection by peat are established. With increase in the degree of decomposition from 5 to 30%, a decrease in the coefficient of diffuse reflection is observed over the entire visible spectrum without a change in the character of spectral curves. A correlation analysis has demonstrated the presence of close feedback between the degree of decomposition R and the reflectivity of peat, which is rather accurately described by an exponential equation. The correlation coefficients in the range investigated were varied from –0.38 to –0.63 for valley peat and from –0.79 to –0.89 for a high-moor one. The integrated index of four types of waves (660, 700, 740, and 750 nm) is suggested for the red region of the spectrum as the most informative one in comparison with R _V based on nine wavelengths and widely applied in soil science. An informative wavelength of 750 nm for estimating the reflectivity of peat as a function of the decomposition degree has been established.     

Origin of the X‐ray magnetic circular dichroism at the L‐edges of the rare‐earths in RxR1−x′Al2 systems

An X‐ray magnetic circular dichroism (XMCD) study performed at the rare‐earth L_2,3‐edges in the R_xR_1?x′Al₂ compounds is presented. It is shown that both R and R′ atoms contribute to the XMCD recorded at the L‐edges of the selected rare‐earth, either R or R′. The amplitude of the XMCD signal is not directly correlated to the magnetization or to the value of the individual (R, R′) magnetic moments, but it is related to the molecular field acting on the rare‐earth tuned in the photoabsorption process. This result closes a longstanding study of the origin of the XMCD at the L‐edge of the rare‐earths in multi‐component systems, allowing a full understanding of the exact nature of these signals.     

On invariant and covariant Schwartz distributions in the case of a compact linear group

A proof is given for the representations of invariant and covariant (Schwartz) distributions onR ⁿ , which are often used in theoretical physics. We express invariant distributions as distributions of standard polynomial invariants and decompose covariant distributions in standard polynomial covariants. Our consideration is restricted to compact groups acting linearly onR ⁿ . The representation for invariant distributions is obtained provided the standard invariants form an algebraically independent generating set in the ring of invariant polynomials. As for the standard covariants we assume that in the class of covariant polynomials they provide a unique decomposition into a sum of the standard covariants multiplied with invariant polynomials.     

Ultra-low specific on-resistance vertical double-diffused metal-oxide semiconductor with a high-k dielectric-filled extended trench

An ultra-low specific on-resistance trench gate vertical double-diffused metal-oxide semiconductor with a high-k dielectric-filled extended trench(HK TG VDMOS) is proposed in this paper.The HK TG VDMOS features a high-k(HK) trench below the trench gate.Firstly,the extended HK trench not only causes an assistant depletion of the n-drift region,but also optimizes the electric field,which therefore reduces Ron,sp and increases the breakdown voltage(BV).Secondly,the extended HK trench weakens the sensitivity of BV to the n-drift doping concentration.Thirdly,compared with the superjunction(SJ) vertical double-diffused metal-oxide semiconductor(VDMOS),the new device is simplified in fabrication by etching and filling the extended trench.The HK TG VDMOS with BV = 172 V and Ron,sp = 0.85 mΩ·cm2 is obtained by simulation;its Ron,sp is reduced by 67% and 40% and its BV is increased by about 15% and 5%,in comparison with those of the conventional trench gate VDMOS(TG VDMOS) and conventional superjunction trench gate VDMOS(SJ TG CDMOS).     

On the decomposition of the transition rhombohedral phase in the Al-30 wt.% Zn alloy

The decomposition of the transition rhombohedral α′_R-phase at the temperatures between 85 and 250 °C was investigated by transmission electron microscopy and by X-ray diffraction on single crystals. Below 161 °C the direct decomposition of α′_R-phase into the equilibrium hexagonal β-phase without the formation of the transition cubic α′-phase was found. Both transformation sequences α′_R → β and α/′_R→α′ → β were observed in the temperature range from 161 to 180 °C whereas only the previously known sequence α′_R → α′ → β was detected on ageing the alloy between 180 and 250 °C. The precipitation process at the temperatures from 161 to 180 °C is characterized by the decomposition of α′_R-phase into the equilibrium β-phase prior to the formation of the transition α′-phase and by the increased rate of decomposition of α′-precipitate. The observed transformation processes are related to the variation of strains at the partially coherent interface between α′_R-phase and α-matrix with the temperature in correlation with the metastable α′_R-phase boundary. These considerations allowed to estimate the relative stabilities of precipitated phases and their activation energies of formation and thus to discuss the decomposition mechanism of α′_R-phase at various temperatures.     

Phase behaviour of colloid-polymer mixtures

Summary We review the phase behaviour of mixtures of colloids and non-adsorbing polymers. The exclusion of polymer molecules from overlapping ?depletion zones? between two neighbouring colloidal particles results in an unbalanced osmotic pressure pushing the particles together. This depletion potential is separately tunable in range and depth. Theory predicts that the resulting phase behaviour is sensitive to ξ=r _g/R, the ratio of the radius of gyration of a polymer molecule, to the radius of the colloid. At large ξ, a stable colloidalliquid phase becomes possible. This has been confirmed by recent experiments. The formation of non-equilibrium ?transient gel? states when the size ratio is small (≈0.08) is also introduced briefly. Paper presented at the I International Conference on Scaling Concepts and Complex Fluids, Copanello, Italy, July 4–8, 1994.     

Steric effects on the mechanism of reaction of nucleophilic substitution of β‐substituted alkoxyvinyl trifluoromethyl ketones with four secondary amines

The kinetics of the reaction of β‐substituted β‐alkoxyvinyl trifluoromethyl ketones R¹O‐CR²?CH‐COCF₃ ( 1a – e ) [( 1a ), R¹?C₂H₅, R²?H; ( 1b ), R¹?R²?CH₃; ( 1c ), R¹?C₂H₅, R²?C₆H₅; ( 1d ), R¹?C₂H₅, R²?V^?pNO₂C₆H₄; ( 1e ), R¹?C₂H₅, R²?C(CH₃)₃] with four aliphatic amines ( 2a – d ) [( 2a ), (C₂H₅)₂NH; ( 2b ), (i‐C₃H₇)₂NH; ( 2c ), (CH₂)₅NH; ( 2d ), O(CH₂CH₂)₂NH] was studied in two aprotic solvents, hexane and acetonitrile. The least reactive stereoisomeric form of ( 1a – d ) was the most populated ( E‐s‐Z‐o‐Z ) form, whereas in ( 1e ), the more reactive form ( Z‐s‐Z‐o‐Z ) dominated. The reactions studied proceeded via common transition state formation whose decomposition occurred by ‘uncatalyzed’ and/or ‘catalyzed’ route. Shielding of the reaction centre by bulky β‐substituents lowered abruptly both k′ (‘uncatalyzed’ rate constant) and k″ (‘catalyzed’ rate constant) of this reaction. Bulky amines reduced k″ to a greater extent than k′ as a result of an additional steric retardation to the approach of the bulky amine to its ammonium ion in the transition state. An increase in the electron‐withdrawing ability of the β‐substituent increased ‘uncatalyzed’ k′ due to the acceleration of the initial nucleophile attack (k₁) and ‘uncatalyzed’ decomposition of transition state (k₂) via promoting electrophilic assistance (through transition state 8 ). The amine basicity determined the route of the reaction: the higher amine basicity, the higher k₃/k₂ ratio (a measure of the ‘catalyzed’ route contribution as compared to the ‘uncatalyzed’ process) was. ‘Uncatalyzed’ route predominated for all reactions; however in polar acetonitrile the contribution of the ‘catalyzed’ route was significant for amines with high pK_a and small bulk. Copyright © 2007 John Wiley & Sons, Ltd.     

Dative versus electron-sharing bonding in N-imides and phosphane imides R3ENX and relative energies of the R2EN(X)R isomers (E = N,P; R = H,Cl, Me,Ph; X = H,F, Cl)*

ABSTRACT

Quantum chemical calculations using density functional theory BP86 and M06-2X functionals in conjunction with def2-TZVPP basis sets have been carried out on the title molecules. The calculation results reveal that the N-imides R₃NNX are always clearly higher in energy than the imine isomers R₂NN(X)R. In the case of phosphane imides R₃PNX and the isomers R₂PN(X)R, the substituent R plays a critical role in determining their relative stabilities. When R is hydrogen or phenyl group, R₃PNX are always higher in energy than R₂PN(X)R but the former are more stable than the latter when R = Cl. Interestingly, the Me₃PNX and Me₂PN(X)Me are quite close in energy. The energy decomposition analysis suggests that the P–N bond in the phosphane imides R₃PNX (R = H, Cl, Me, Ph; X = H, F, Cl) should be described in terms of an electron-sharing single bond between two charged fragments R₃P⁺-NX^? that is supported by (R₃P)⁺←(NX)^? π-backdonation. The π-bond contributes 14–21% of the total orbital interactions while the σ-bond provides 60–68% of ΔE_orb.