一维有限超晶格的电子态与透射问题的转移矩阵方法研究

采用转移矩阵方法,研究了一维有限超晶格的电子态与透射问题.计算了一维有限超晶格含单个缺陷层或少量缺陷层的透射谱和波函数,以及当电子被束缚在一维有限超晶格中电子的本征值和相应的定态本征函数.给出的方法对于研究电子通过任意排列的一维有限超晶格的输运具有普适性.     

磁场下含结构缺陷多组分超晶格中的局域电子态和电子输运

在有效质量近似理论下，利用转移矩阵和有效垒高方法研究了有限磁场下含结构缺陷的多组分超晶格中局域电子态的性质.在考虑各组分层有效质量的失配时，外加磁场会导致磁耦合效应的出现.磁耦合效应不仅引起局域电子能级的量子化，并且随着朗道指数或磁场强弱的变化，局域能级及其局域程度都会发生显著移动，特别是对高能区域的局域电子态影响更大.此外，还计算了电子输运系数，讨论了含结构缺陷的三组分超晶格中局域电子能级与输运谱透射禁区中的共振透射峰的关系，发现两者之间有着很好的对应关系，为相应的实验研究提供了依据. 关键词： 超晶格 局域电子态 磁场     

磁耦合效应对半无限超晶格中表面电子态的影响

在有效质量近似理论下，采用有效垒高方法，研究了在沿超晶格生长方向加一有限磁场时磁耦合效应对半无限半导体超晶格中表面电子态的影响.当考虑超晶格中阱层和垒层之间电子有效质量的差别时，沿超晶格生长方向的磁场将导致磁耦合效应的出现.研究结果表明，磁耦合效应不仅引起表面电子能级的量子化，而且表面电子能级的大小及其在表面附近的局域程度也依赖于磁场的大小和朗道指数.此外，研究表明布洛赫波数的虚部可以作为一个衡量表面电子态局域程度的物理量. 关键词： 超晶格中的电子态 表面态 磁场     

一维无序二元固体中电子局域性质的研究

从单电子紧束缚模型的哈密顿量出发，格点能量随机取ε_A和ε_B，只计及格点之间的近程跳跃积分，建立了一维无序二元固体模型. 利用负本征值理论及无限阶微扰理论，对系统电子的本征值和本征态进行了数值计算. 结果表明与一定能量本征值对应的电子波函数只分布在系统的一定范围内，显示了其局域性. 借助传输矩阵方法，计算出电子的局域长度，讨论了局域长度随本征能量和无序度的变化关系，并研究了计入不同范围跳跃积分下，局域长度的变化特征. 关键词： 无序 二元固体 电子态 局域长度     

缓冲层对量子阱二能级系统中电子子带间跃迁光吸收的影响

由于ZnO缓冲层对纤锌矿ZnO/Mg_xZn_(1-x)O有限深单量子阱结构左垒的限制作用,导致阱和右垒的尺寸、Mg组分值等因素将影响系统中形成二能级.本文考虑内建电场、导带弯曲及材料掺杂对实际异质结势的影响,利用有限差分法数值求解Schr?dinger方程,获得电子的本征能级和波函数,探讨ZnO缓冲层对此类量子阱形成二能级系统的尺寸效应及三元混晶效应的影响;利用费米黄金法则探讨缓冲层、左垒、阱及右垒宽度和三元混晶效应对此类量子阱电子子带间跃迁光吸收的影响.计算结果显示:对于加入ZnO缓冲层的ZnO/Mg_xZn_(1-x)O有限深单量子阱二能级系统,左垒宽度临界值会随着阱宽和Mg组分值的增大而逐渐减小,随着右垒宽度和缓冲层厚度的增大而逐渐增大;量子阱中电子子带间跃迁光吸收峰会随着左垒、右垒尺寸以及Mg组分的增大发生蓝移,随着阱宽增大而发生红移.本文所得结果可为改善异质结器件的光电性能提供理论指导.     

准一维三平行链无序系统电子结构

利用负本征值理论计算方法,重点计算出准一维平行三链无序系统的电子态密度,对比研究了一维单链、准一维双链的情况.在对角无序、非对角无序条件下,具体探讨了电子结构、局域化形成、系统能量分布及维数效应等问题.研究表明,对角无序主要引起电子局域态的增多,非对角无序则使系统的能量分布范围发生变化;通过对一维到带状系统电子结构变化的研究,观察到在相同条件下,从一维到带状系统,电子态密度的峰值数目在增加,而电子态密度为零的能量区间减少,体现出电子能带结构的维数效应.     

二维准晶顶角模型的电子性质

本文研究构造在Penrose晶格上的顶角模型的电子性质。对有对称心的Penrose晶格,引入一相似变换,将紧束缚哈密顿量约化成分块对角的形式,以此化简了本征能量和本征态的数值计算,并且根据这一约化确定约三分之二的能量本征态是双重简并的,而另外三分之一的态是非简并的。用Household方法和改进的Dean方法数值求解了本征能量和本征态,并用二阶矩,反参加比和波函数空间分布等方法研究了电子态的局域性质,发现三种类型的电子态(延展态、中间态和局域态)共存于二维准晶中。此外,还对能谱中的高简并态进行了研究。 关键词：     

半导体超晶格子带间跃迁光吸收理论研究

从理论上研究了半导体超晶格子带间跃迁的光吸收性质,以GaAs/AlxGa1－xAs超晶格为例进行数值计算,分析了该材料的吸收系数随入射光光子能量、光场强度和超晶格结构参量（阱宽,垒宽,势垒高）的变化关系计算表明：随着入射光光子能量的变化,出现非对称的吸收峰;光强只改变吸收系数大小;超晶格结构参量会改变吸收谱的谱宽和吸收峰所对应的入射光频率随着超晶格阱宽（垒宽）的增大,吸收谱由宽变窄,吸收峰红移;随着超晶格Al组分变大,吸收谱变窄.     

双重势垒一维光子晶体量子阱内部局域电场分布

利用传输矩阵法理论,研究了双重势垒一维光子晶体量子阱(AB)k(CD)m(DCD)n(DC)m(BA)k的内部局域电场.结果表明:双重势垒光量子阱内部分布着很强的局域电场,且越靠近阱中心,局域电场越强;双重势垒光量子阱垒层特别是内垒层和外垒层厚度同时增大时,内部局域电场快速增强,而且阱中心增强最明显;双重势垒光量子阱阱层宽度增大时,越靠近阱中心,局域电场越强,但阱宽按偶数倍增大时阱中心的局域电场不变并保持恒定极大值,而阱宽按奇数倍增大到一定数值后,光量子阱内部局域电场则趋于阱宽按偶数倍增大时的局域电场恒定极大值.该研究可为分析光量子势阱的量子化效应机理和分立透射谱的形成内因,以及量子光学产品的实际设计等提供指导.     

DNA分子链电子结构特性研究

在单电子紧束缚近似下，建立了一维无序二元DNA分子链模型，计算了链长为2×10⁴个碱基对的DNA分子链的电子态密度、局域化特性，并探讨了碱基对的不同组分、格点能量无序度对电子局域态的影响.结果表明：由于DNA分子链中格点能量无序及碱基对的不同组分的存在，其电子波函数呈现出局域化的特性，而局域长度作为衡量电子局域化程度的一个尺度，受碱基对的组分及格点能量无序度的影响. 关键词： DNA分子链 电子结构 电子局域态 局域长度     

Properties of Above-Barrier Electronic States in Multi-Barrier structures

In the present work we report the detailed study of the above-barrier electronic states in the multi-barher structures by using the transfer matrix technique. The energy levels and the corresponding wavefunctions are calculated by solving the Schrodinger equation directly. Andy tical analysis is presented confirming the formation of sub band structure, similar to that determined by Kronig-Penney model. Each subband contains N energy states with N being the number of periods in the structure. Furthermore, our calculations demonstrate that in each subband there is one energy state whose wavefunction is always localized in the barrier regions, while others remain partly localized in general. These localized states satisfy the constructive condition k_bb = nπ in consistence with experiments, where kb is the wave vector in the barrier region, b is the barrier width, and n is an integer.     

Two types of extended states in random dimer barrier superlattices

We study numerically the effects of short-range correlated disorder on the electronic and transport properties of intentionally disordered GaAs–Al_xGa_1−xAs superlattices. We consider layers having identical thickness where the Al concentration x takes at random two different values with the constraint that one of them appears only in pairs, i.e. the random dimer barrier. Various physical quantities such as the conductance, the universal fluctuation conductance, the localization length, the resistance and its probability distribution are statistically computed by means of the transfer matrix formalism to discriminate the nature of the electronic states. In spite of the presence of disorder, the system exhibits two kinds of sets of propagating states lying below the barrier due to the characteristic structure of the superlattice. The states close to the resonance can be viewed as consisting of weakly localized states with very large localization length. In the band tails, i.e. for vanishing conductance, the states are strongly localized. The nature of the transition between these two regimes is quantitatively investigated through relevant physical quantities.     

Electronic localization in disordered systems

A brief review is given of the current understanding of the electronic structure, transport properties and the nature of the electronic states in disordered systems. A simple explanation for the observed exponential behaviour in the density of states (Urbach tails) based on short-range Gaussian fluctuations is presented. The theory of Anderson localization in a disordered system is reviewed. Basic concepts, and the physics underlying the effects of weak localization, are discussed. The scaling as well as the self-consistent theory of localization are briefly reviewed. It is then argued that the problem of localization in a random potential within the so-called ladder approximation is formally equivalent to the problem of finding a bound state in a shallow potential well. Therefore all states are exponentially localized in d=1 and d=2. The fractal nature of the states is also discussed. Scaling properties in highly anisotropic systems are also discussed. A brief presentation of the recently observed metal-to-insulator transition in dequals;2 is given and, finally, a few remarks about interaction effects in disordered systems are presented.     

Donor ordering and the statistics of quantum dot level spacings and widths from full 3D self-consistent electronic structure

Using full 3D self-consistent electronic structure calculations of small (electron numberN 100) lateral quantum dots formed on GaAs–AlGaAs HEMT devices we calculate the statistics of level spacings Δε_pand tunneling coefficients Γ_pbetween leads and confined states of the dot. We employ random and ordered donor layer charge distributions, the latter generated through Monte Carlo variable range hopping simulations, as well as a homogeneous (jellium) ionic charge distribution, and examine the effects on these statistics.It has recently been argued that the statistics of the level spacings and widths follow from random matrix theory when the Hamiltonian is described by the Gaussian orthogonal ensemble (GOE) for zero magnetic fieldB, and by the Gaussian unitary ensemble (GUE) forBsufficiently large to break time reversal symmetry. Specifically it is argued that when the dot wave functions are expanded in an arbitrary basis the expansion coefficients, according to the postulate of Porter and Thomas, are uniformly distributed in Hilbert space.In our calculation we obtain statistics of level spacings and widths by generating many configurations of disordered and ordered donor charge. This corresponds to the experimental situation of thermal cycling of the device. We find that a pronounced transition occurs in the level spacing statistics between the completely disordered donor layer ensemble, which seems to be well described by random matrix theory, and the ordered ensemble which is dominated by secular variations in the coefficients. In particular, a shell structure in the levels, which results from approximate parabolicity in the self-consistent confining potential, is observed. This, and the effects of symmetry under inversion and azimuthal symmetry, are speculated to undermine level repulsion and result in Poisson statistics for the levels here at the band edge.Finally we find that distortions in the dot shape are markedly less significant in varying the widths (and level spacings) than calculations based on a hard wall potential for the dot predict. This suggests that the notion of invariant atomic structure for sufficiently small dots is not invalidated by the randomness inherent in donor positions and shape distortion but, on the contrary, a systematic study of dot structure is possible.     

Coulomb drag in coherent mesoscopic systems

We present a theory for Coulomb drag between two mesoscopic systems. Our formalism expresses the drag in terms of scattering matrices and wave functions, and its range of validity covers both ballistic and disordered systems. The consequences can be worked out either by analytic means, such as the random matrix theory, or by numerical simulations. We show that Coulomb drag is sensitive to localized states, which usual transport measurements do not probe. For chaotic 2D systems we find a vanishing average drag, with a nonzero variance. Disordered 1D wires show a finite drag, with a large variance, giving rise to a possible sign change of the induced current.     

On the calculation of the magnetoresistance of tunnel junctions with parallel paths of conduction

At the interfaces between the metallic electrodes and barrier in magnetic tunnel junctions it is possible for localized states to form which are orthogonal to the itinerant states for the junction, as well as resonant states that can form at the interfaces. These states form highly conducting paths across the barrier when their orbitals point directly into the barrier; these paths are in addition to those formed by the itinerant states across the entire junction. Most calculations of transport in magnetic tunnel junctions are made with the assumptions that the transverse momentum of the tunnelling electrons is conserved, in which case the itinerant electron states remain orthogonal to localized states. In principle it is possible to include diffuse scattering in both the bulk of the electrodes and the barrier so that the transverse momentum is not conserved, as well as the processes that couple localized states at the electrode-barrier interface to the itinerant states in the bulk of the electrodes. However, including these effects leads to lengthy calculations. Therefore, to assess the conduction across the barrier through the localized states that exist in parallel to the itinerant states we propose an approximate scheme in which we calculate the conductance of only the barrier region. While we do not take explicit account of either of the effects mentioned above, we do calculate the tunnelling through all the states that exist at the electrode-barrier interfaces by placing reservoirs directly across the barriers. To calculate the current and magnetoresistance for magnetic tunnel junctions (the junction magnetoresistance (JMR)) we have used the lattice model developed by Caroli et al. The propagators, density of states and hopping integrals entering the expressions for the current are determined by using the spin polarized scalar-relativistic screened Korringa-Kohn-Rostoker method that has been adapted to layered structures. By using vacuum as the insulating barrier we have determined with no adjustable parameters the JMR in the linear response region of tunnel junctions with fcc Co(100), fccNi(100) and bcc Fe(100) as electrodes. The JMR ratios that we find for these metal/vacuum/metal junctions are comparable with those measured with alumina as the insulating barrier. For vacuum barriers we find that tunnelling currents have minority- spin polarization whereas the tunnelling currents for th se electrodes have been observed to be positively (majority) polarized for alumina barriers and minority polarized for SrTiO 3 barriers. In addition to determining the JMR ratios in linear response we have also determined how the magnetoresistance of magnetic tunnel junctions varies with a finite voltage bias applied across the junction. In particular we have found how the shape of the potential barrier is altered by the applied bias and how this affects the current. Comparisons with data as they become available will eventually determine whether our approximate scheme or the ballistic Landauer-Büttiker approach is better able to represent the features of the electronic structure that control tunnelling in magnetic tunnel junctions.     

基态非简并导电聚合物——坐标空间研究

通过引入简并破缺项,建立了非等势垒Kronig-Penney方势阱模型,在实坐标空间中研究了基态非简并聚合物——顺式聚乙炔的基态及其激发态,并与紧束缚模型所得到的结果进行了比较.给出了体系的电子态、电荷密度等在实坐标空间的分布特征.发现在坐标空间研究可以更加准确地反映体系的电子态密度、电子空间密度分布等特征. 关键词： 聚合物 方势阱 基态 极化子     

Nature of the eigenstates in the miniband of random dimer-barrier superlattices

The dc conductance, the universal quantum fluctuations and the resistance distribution are numerically investigated in dimer semiconductor superlattices by means of the transfer matrix formalism. We are interested in the GaAs/Al_x Ga _1 − xAs layers, having identical thickness, where the aluminium concentration x takes, at random, two different values, with the constraint that one of them appears only in pairs, i.e. the random dimer barrier (RDB). These systems exhibit a miniband of extended states, around a critical energy, lying to the typical structure of the dimer cell. The states close to this resonant energy consist of weakly localized states, while in band tails i.e. for negligible conductance, the states are strongly localized. This is evidence of the suppression of localization in the RDB superlattices. The nature of the transition between these two regimes is quantitatively investigated through relevant physical quantities. The model is, hence, clearly and statistically examined.     

Suppression of Anderson localization in a graphene sheet applied by a random voltage pattern

We theoretically study the transport of electronic waves through a graphene sheet applied by a random voltage pattern in which the magnitudes and/or the widths of the voltages are random. When the magnitudes of the voltages exceed the electronic energy, the applied region can be considered as left-handed (LH) layers. Compared to the disordered structures with right-handed (RH) layers only, the spectra of the (average) density of states and the localization lengths in mixed random structures with RH and LH layers all show the suppression of Anderson localization, owing to the phase compensation effect of LH layers that reduces the long-range interference in the random system.