纤锌矿BeO掺Cd的电子结构与能带特性研究

采用基于密度泛函理论平面波赝势方法, 对纤锌矿BeO掺Cd的Be_1-xCd_xO合金进行电子结构与能带特性研究. 结果表明: Be_1-xCd_xO的价带顶始终由O 2p电子态决定, 而导带底由Be 2s和Cd 5s的电子态决定.随着Be_1-xCd_xO合金的Cd掺杂量增加, Cd 4d与O 2p的排斥效应逐渐加强, 同时Be_1-xCd_xO的带隙逐渐变小, 出现"直接-间接-直接"的带隙转变. 为了使理论值与实验值相一致, 对Be_1-xCd_xO带隙进行修正, 并分析了纤锌矿BeO-ZnO-CdO三元合金的带隙和弯曲系数与晶格常数的关系.     

Zn掺杂n型笼合物Ba8Ga16-2xZnxGe30+x的热电传输特性

用高温熔融结合放电等离子烧结法制备了Zn掺杂单相n型Ba₈Ga_16-2xZn_xGe_30+x笼合物，探索了Zn对Ga的取代对其热电传输特性的影响规律.研究结果表明,n型Ba₈Ga_16-2xZn_xGe_30+x化合物的电导率随着x的增加逐渐增     

Si1-xGex合金半导体中CiCs和CiOi缺陷随Ge含量的变化

采用从头计算(ab initio)的方法对Si和Si_1-xGe_x合金半导体材料中C_iC_s缺陷的性质进行探讨，同时也对比调查了C_iO_i缺陷在Si和Si_1-xGe_x合金中的性质. 在不同Ge含量的Si_1-xGe_{x相似文献}   

用于紫外探测器DBR结构的高质量AlGaN材料MOCVD生长及其特性研究

利用MOCVD方法在(0001)取向的蓝宝石衬底上实现了不同工艺条件下的高质量AlGaN材料的制备.得到了无裂纹的全组分Al_xGa_1-xN(0<x<1)薄膜.通过XRD，SEM，AFM等测量分析方法系统研究了生长工艺参数对材料的结构质量、组分、厚度和表面形貌的影响.分析了不同生长工艺对AlGaN材料特性的影响.研制的高质量AlGaN材料在紫外探测器的DBR结构应用中得到比较好的特性.     

Tb0.3Dy0.7－xPrx(Fe0.9Al0.1)1.95合金的磁致伸缩、自旋重取向和穆斯堡尔谱研究

系统研究了室温下Tb_0.3Dy_0.7-xPr_x(Fe_0.9Al_0.1)_1.95 (x=0，0.1，0.2，0.25，0.3，0.35)合金中稀土元素Pr替代Dy对晶体结构、磁致伸缩、各向异性和自旋重取向的影响. 结果发现，x≤0.1时，Tb_0.3Dy_0.7-xPr_x(Fe_0.9Al_0.1)_1.95完全保持MgCl₂立方Laves相结构，0.1<x≤0.3，有杂相出现并且随Pr替代量逐渐增多；晶格常数a随Pr含量x的增加缓慢增大. 磁致伸缩测量发现，随着替代量x的增多磁致伸缩减小；x>0.2时超磁致伸缩效应消失. 然而，x=0.1时合金的磁致伸缩略大于没有替代的，而且磁致伸缩随磁场更易趋于饱和，说明Pr替代有助于降低磁晶各向异性. 内禀磁致伸缩λ₁₁₁随Pr替代量x的增加接近线性增加. 由相对磁化率随温度的变化关系可以看出，自旋重取向温度随Pr替代量的增多呈先增后降趋势，在x=0.1处出现极大值. 穆斯堡尔效应表明，随Pr含量的增加Tb_0.3Dy_0.7-xPr_x(Fe_0.9Al_0.1)_1.95合金中易磁化轴可能在{110}面上绕主对称轴作微小转动，发生自旋重取向. 与Al元素替代效应相比，Pr替代Dy对自旋重取向的影响相对较小.     

Magnetoelectric effect and toroidal ordering in Ga2−x FexO3

The field dependence of the magnetoelectric effect and longitudinal magnetostriction of Ga_2−x Fe_xO₃ single crystals is studied in magnetic fields up to 200 kOe in the temperature range from 4.2 to 300 K. It is shown that the magnetoelectric effect in these materials is determined mainly by the toroidal moment T and is not related to magnetostriction, as was previously theorized. A new method for determining the toroidal moment by measuring the electric polarization in a strong magnetic field is proposed. The value of the toroidal moment of the unit cell in Ga_1.15Fe_0.85O₃ is calculated: T=(T _a ,0,0), where T _a =24.155μ _B Å per unit cell. Experimental data are analyzed using a theory of toroidal spin ordering, which gives good agreement with experiment. Zh. éksp. Teor. Fiz. 114, 263–272 (July 1998) Deceased.     

锰位铁掺杂La0.67Sr0.33FexMn1-xO3薄膜的光诱导效应

分别采用溶胶-凝胶法和脉冲激光沉积的方法制备了La_067Sr_033Fe_xMn_1-xO₃(x=0, 005, 010, 015)系列块材和薄膜，研究了Fe部分替代对La_067Sr_033Fe_xMn_1-xO₃薄膜     

Local-moment formation and metal-nonmetal transition in Ca1−x Y x VO3 and Ca1−x Y x TiO3

Electron-doped metallic states of Ca_1−x Y _x VO₃ and Ca_1−x Y _x TiO₃ change into non-metallic states around x∼0.4 and 0.6, respectively. The residual resistivity in the metallic states increases with increasing effective magnetic moment or coefficient of T ² term of resistivity. The effective moment reaches ∼ 0.5 μ_B/molecule in Ca_1−x Y _x VO₃ and also in Ca_1−x Y _x TiO₃ near the metal-nonmetal phase boundary. In these metallic states. ∼ 10% of 3d atoms seem to have large localized magnetic moments. In electron-doped metallic sample of Ca_1−x Y _x VO₃, the temperature dependence of resistance shows no resistance-minimum. However, weak negative magneto-resistance is observed for the sample with x=0.2 up to 50 Tesla at 4.2 K.     

共轭低聚物中光生分子间电荷转移态的第一性原理研究

本文基于第一性原理中的Heyd-Scuseria-Ernzerh方法研究了单层In_1-xGa_xN的电子结构和光学性质.计算得到单层In_1-xGa_xN的能带结构和态密度（DOS）,发现随着掺杂比例的变化,体系带隙的变化范围是1.8~3.8 eV,表明通过Ga的掺杂可以实现体系带隙值的调节.并且还研究了单层In_1-xGa_xN的介电函数,折射率和吸收系数等光学性质,结果表明随着Ga掺杂浓度的增加,介电函数谱的主峰和吸收谱发生了显著的蓝移.此外,基于能带结构和态密度图谱,对单层In_1-xGa_xN的光学性质进行分析,预测这种材料独特的光学性质在纳米电子学和光学器件中会有广泛的应用.     

Density-functional theory investigation of energy gaps and optical properties of Hg1-xCdxTe and In1-xGaxAs

We use a modified Becke-Johnson exchange plus a local density approximation correlation potential within the density functional theory to investigate the electronic structures of Hg_1-xCd_xTe and In_1-xGa_xAs with x being 0, 0.25, 0.5, 0.75, and 1. For both of the two series, our calculated energy gaps and dielectric functions (real part ε₁ and imaginary part ε₂) are in agreement with the corresponding experimental results with x being between 0 and 1. The calculated zero-frequency refractive index varies greatly with x for Hg_1-xCd_xTe, but changes little with x for In_1-xGa_xAs, which is consistent with the real parts of their dielectric functions. Therefore, this new approach is satisfactory to describe the electronic structures and the optical properties of the semiconductors.     

基于二阶离散变分方法的非线性映射参数估计

提出一种估计非线性映射未知参数的二阶离散变分方法.首先针对非线性离散混沌系统, 利用变分方法导出了伴随方程和目标泛函梯度, 以此为基础利用二阶离散变分方法给出了二阶伴随方程和精确计算Hessian矩阵-向量乘积的显式表达式; 其次设计了估计非线性映射未知参数的新算法, 并以此对Hyperhenón映射和二维抛物映射中的未知参数进行了精确的估计. 数值仿真结果表明了该方法的有效性和优点. 关键词： 非线性映射 参数估计 二阶离散变分方法 伴随方程     

基于变分方法的混沌系统参数估计

提出一种基于变分原理的估计混沌系统未知参数的方法,对以x= F(x,θ) 为控制方程的所有混沌系统具有普适性.首先将混沌系统方程引入到目标泛函中;接着利用变分原理导出了混沌系统的伴随方程和待辨识参数泛函梯度的通用公式;然后设计了估计混沌系统未知参数的算法;最后对典型的Lorenz混沌系统和超混沌Chen系统的未知参数进行了估计.数值仿真结果表明该方法是一种非常有效的估计混沌系统未知参数的方法. 关键词： 混沌系统 参数估计 变分方法 伴随方程     

一个二次多项式混沌系统的均匀化及其熵分析

利用已有理论给出了一个二次多项式混沌系统,证明了该系统与Tent映射拓扑共轭,给出了该混沌系统的概率密度函数;并根据此概率密度函数,得到了轨道均匀分布的反三角函数映射;对均匀化前后的混沌系统在不同参数下产生序列的信息熵、Kolmogorov熵、离散熵的特性进行了分析,结果显示均匀化后产生的混沌序列混沌程度不改变且具有更好的均匀性.     

混沌伪随机序列的谱熵复杂性分析

为了准确分析混沌伪随机序列的结构复杂性,采用谱熵算法对Logistic映射、Gaussian映射和TD-ERCS系统产生的混沌伪随机序列复杂度进行了分析.谱熵算法具有参数少、对序列长度N(惟一参数)和伪随机进制数K鲁棒性好的特点.采用窗口滑动法分析了混沌伪随机序列的复杂度演变特性,计算了离散混沌系统不同初值和不同系统参数条件下的复杂度.研究表明,谱熵算法能有效地分析混沌伪随机序列的结构复杂度;在这三个混沌系统中,TD-ERCS系统为广域高复杂度混沌系统,复杂度性能最好;不同窗口和不同初值条件下的混沌系统复杂度在较小范围内波动.为混沌序列在信息安全中的应用提供了理论和实验依据.     

New communication schemes based on adaptive synchronization

In this paper, adaptive synchronization with unknown parameters is discussed for a unified chaotic system by using the Lyapunov method and the adaptive control approach. Some communication schemes, including chaotic masking, chaotic modulation, and chaotic shift key strategies, are then proposed based on the modified adaptive method. The transmitted signal is masked by chaotic signal or modulated into the system, which effectively blurs the constructed return map and can resist this return map attack. The driving system with unknown parameters and functions is almost completely unknown to the attackers, so it is more secure to apply this method into the communication. Finally, some simulation examples based on the proposed communication schemes and some cryptanalysis works are also given to verify the theoretical analysis in this paper.     

Chaotic behaviour of nonlinear coupled reaction–diffusion system in four-dimensional space

In recent years, nonlinear coupled reaction–diffusion (CRD) system has been widely investigated by coupled map lattice method. Previously, nonlinear behaviour was observed dynamically when one or two of the three variables in the discrete system change. In this paper, we consider the chaotic behaviour when three variables change, which is called as four-dimensional chaos. When two parameters in the discrete system are unknown, we first give the existing condition of the chaos in four-dimensional space by the generalized definitions of spatial periodic orbits and spatial chaos. In addition, the chaotic behaviour will vary with the parameters. Then we propose a generalized Lyapunov exponent in four-dimensional space to characterize the different effects of parameters on the chaotic behaviour, which has not been studied in detail. In order to verify the chaotic behaviour of the system and the different effects clearly, we simulate the dynamical behaviour in two- and three-dimensional spaces.     

动力学变换法探测连续系统不稳定周期轨道

本文利用动力学变换方法和庞加莱截面方法对两种连续混沌动力学系统进行不稳定周期轨道探测研究, 并对Lorenz系统进行了替代数据法检验.结果表明:基于庞加莱截面的动力学变换改进算法 可有效探测连续混沌动力学系统中的不稳定周期轨道.     

用离散混沌信号驱动实现混沌同步

提出了用离散混沌系统驱动连续混沌系统导致其同步的方法,以逻辑映象、Henon映象、Lorenz系统为例,数值地研究了这种混沌同步方法.模拟结果表明,当驱动信号的强度足够大时,可使两个连续混沌系统达到完全同步,且输出信号具有类似于白噪声的宽谱特性.同时研究了用该混沌同步方法实现保密通信的可能性. 关键词：     

Synchronization of spatiotemporal chaos in a class of complex dynamical networks

This paper studies the synchronization of complex dynamical networks constructed by spatiotemporal chaotic systems with unknown parameters. The state variables in the systems with uncertain parameters are used to construct the parameter recognizers, and the unknown parameters are identified. Uncertain spatiotemporal chaotic systems are taken as the nodes of complex dynamical networks, connection among the nodes of all the spatiotemporal chaotic systems is of nonlinear coupling. The structure of the coupling functions between the connected nodes and the control gain are obtained based on Lyapunov stability theory. It is seen that stable chaos synchronization exists in the whole network when the control gain is in a certain range. The Gray--Scott models which have spatiotemporal chaotic behaviour are taken as examples for simulation and the results show that the method is very effective.     

Adaptive generalized projective synchronization of two different chaotic systems with unknown parameters

This paper presents a general method of the generalized projective synchronization and the parameter identification between two different chaotic systems with unknown parameters. This approach is based on Lyapunov stability theory, and employs a combination of feedback control and adaptive control. With this method one can achieve the generalized projective synchronization and realize the parameter identifications between almost all chaotic （hyperchaotic） systems with unknown parameters. Numerical simulations results are presented to demonstrate the effectiveness of the method.