用B样条技术研究半导体微晶中激子的量子受限效应

在有效质量近似（EMA）下，采用B样条技术和变分方法，分别研究较大CdTe球量子点(25—35nm)和较小CdS球量子点(025—35nm)中激子的量子受限效应，计算出CdTe和CdS球量子点中受限激子的基态能和束缚能随参数的变化规律，比较两种计算结果得到：（1）较大量子点中受限激子的基态能和束缚能对量子点边界和量子点外部介质的介电常数不敏感，但较小量子点中受限激子的基态能和束缚能对量子点边界和量子点外部介质的介电常数比较敏感.（2）在较强受限区域，大量子点与小量子点的激子基态能和束缚能的变化规律完全不同.（3）B样条技术对于研究这种具有边界的束缚态系统是很精确的方法，这种方法特别适合用于多层结构量子点系统的精确计算. 关键词： B样条技术 量子受限效应 有效质量近似     

介电受限对量子点中受限激子的影响

在有效质量近似下,采用有限深势阱模型研究了强受限制范围内,介电受限对球形,立方形半 量子点中受限激子的影响,结果表明在考虑表面极化效应以后,量子点的形状对受限激子的影响是不可忽略的。     

半导体量子点的形状对受限激子的影响

在有效质量近似范围内,采用有限深势阱模型,考虑介电受限、计入表面极化效应的情况下,研究了球形、立方形半导体量子点的形状对受限激子的影响．结果表明量子点的形状效应不可忽略. 关键词：     

垂直耦合自组织InAs双量子点中激子能的计算

在有效质量近似条件下研究了垂直耦合的自组织InAs/GaAs量子点的激子态.在绝热近似条件下，采用传递矩阵方法计算了电子和空穴的能谱.通过哈密顿量矩阵的对角化，对电子和空穴间的库仑相互作用进行了精确处理.讨论了两量子点间的垂直距离对激子基态能的影响.从基态波函数概率分布的角度，讨论了激子的束缚能.计算了重空穴和轻空穴激子的基态能随外部垂直磁场变化的函数关系.计算了量子点大小（量子点半径）对激子能的影响. 关键词： 量子点 激子 对角化     

闪锌矿GaN/AlGaN量子点中激子态及光学性质的研究

在有效质量近似的框架下,运用变分方法研究闪锌矿GaN/AlGaN量子点中的激子态及相关光学性质,探讨电子与空穴在量子点中的三维空间受限和有限势效应.数值计算结果显示,当量子点的尺寸增加时, 量子尺寸效应对电子和空穴的影响减弱,基态激子结合能和带间光跃迁能也都降低;而当该量子点中垒层AlGaN中 Al含量增加时,提高了量子点对电子和空穴的束缚作用, 同时基态激子结合能和带间光跃迁能都增加.数值的理论结果与相关实验测量结果一致.     

球形量子点的三阶极化率

在理论上计算了球形量子点激子基态能级和偶极跃迁振子强度,分析了量子点激子的三阶极化率.结果表明:在激子强受限的情况下,量子点半径越小三阶极化率越大;在激子弱受限的情况下,量子点半径的增大,三阶极化率越大.     

磁场和量子点尺寸对激子性质的影响

在In_0.6Ga_0.4As/GaAs量子点中,采用一维等效势模型和有限差分法理论计算了激子态的性质,得到了激子跃迁能和束缚能随磁场、横向束缚强度以及量子点尺寸的变化关系.结果表明:加入磁场后,Zeeman效应使得激子的能级简并度解除,激子的基态跃迁能与实验符合得很好;横向束缚强度或磁场强度的增加使得激子的束缚增强;量子点的尺寸对激子的束缚产生重要的影响;通过电子-空穴间平均距离以及激子体系波函数分布图像分析了其产生的物理机制.     

抛物形量子点中弱耦合极化子的性质

采用线性组合算符和幺正变换方法研究了抛物形量子点中弱耦合极化子的基态能量和束缚能。计算结果表明,基态能量和束缚能随有效束缚强度增加而减小。随着有效束缚强度逐渐加大,最后逐渐趋于体结构极化子的基态能量。当有效束缚强度给定,基态能随电子-体纵光学声子耦合强度增加而减小。由于有效束缚强度与量子点受限强度平方根成反比,所以量子点受限越强,基态能和束缚能越大,电子-体纵光学声子耦合强度的变化对量子点的影响越小。当量子点受限变弱时,电子-体纵光学声子耦合强度变化对量子点的影响变大。所以在量子点弱受限区域,极化子对量子点的影响不容忽略。     

半导体量子点中弱耦合激子的性质

研究了抛物型半导体量子点中弱耦合激子的性质,在有效质量近似下,采用线性组合算符和幺正变换的方法,导出了抛物型半导体量子点中激子的基态能量。讨论了量子点半径和受限强度对半导体量子点中弱耦合激子的基态能量的影响。以GaAs半导体为例进行了数值计算,结果表明:在弱耦合情况下,重空穴激子和轻空穴激子的基态能量随量子点半径的减小而增大,随受限强度ω₀的增强而增大。     

半导体束缚激子基态能的变尺度法

提出了计算体系基态能的变尺度法，用该算法计算了电子和空穴有效质 量比值不同时，离子化施主束缚激子（D+，X）的基态能. 在求解体系基态能上与传统的变分法相比有很大的优势，尤其适合复杂体系基态能的计算. 关键词： 束缚激子 氦原子 基态能 变尺度方法     

Energy scaling for multi-exciton complexes in semiconductor quantum dots

The ground state properties of an multi-exciton (ME) complex localized in a nanoscale semiconductor quantum dot (QD) have been studied. The calculations have been performed using the envelope function approximation for electron and hole motion in the QD. The many-body quantum mechanical treatment of the electron-hole dynamics was done within the Density Functional Theory approach. The ground state energy dependencies upon QD radius, number of electron-hole pairs, QD dielectric function and effective masses of electron and holes have been analyzed. It is demonstrated that when multi-exciton complex is strongly localized within the QD, the physical properties of the system are determined by a single parameter, the ratio of QD and free exciton radii, and its binding energy is given by the function of this parameter multiplied by the binding energy of an isolated exciton in bulk semiconductor.     

Ground and first excited state energies of impurity-bound polaron in a parabolic quantum dot

A Landau–Pekar variational theory is employed to obtain the ground and the first excited state binding energies of an electron bound to a Coulomb impurity in a polar semiconductor quantum dot (QD) with parabolic confinement in both two and three dimensions. It is found that the binding energy increase with increasing the Coulomb binding parameter and increase with the decrease in size of the QD and is much more pronounced with decreasing dimensionality.     

Hydrogenic impurity bound polaron in a parabolic quantum dot with arbitrary electron-phonon coupling strength

A variational approach is employed to obtain the ground and the first excited state binding energies of an electron bound to a hydrogenic impurity in a polar semiconductor quantum dot (QD) with symmetric parabolic confinement in both two and three-dimensions. We perform calculations for the entire range of the electron-phonon coupling constant and the Coulomb binding parameter and for arbitrary confinement length. It is found that the binding energy of ground and first excited state is larger in a two-dimension (2D) dot than in a three-dimension (3D) dot and this trend is more pronounced with the increase of the electron-phonon coupling constant for the same value of the Coulomb binding parameter and confinement length. Furthermore, the ground and the first excited state binding energy increases with increasing the Coulomb binding parameter in both 2D and 3D QDs for the same electron-phonon coupling constant.     

应变纤锌矿GaN/AlxGa1-xN柱形量子点中类氢施主杂质态结合能的压力效应

考虑应变,在有效质量、有限高势垒近似下,变分研究了纤锌矿GaN/AlxGa1-xN柱形量子点中类氢施主杂质态结合能随流体静压力、杂质位置及量子点结构参数(量子点高度、半径、Al含量)的变化关系．结果表明,类氢施主杂质态结合能随流体静压力增大而增大,且在量子点尺寸较小时,流体静压力对杂质态结合能的影响更为显著．受流体静压力的影响,杂质态结合能随量子点高度、半径的增加而单调减少,且变化趋势加剧;随Al含量增加而增大的趋势变缓．无论是否施加流体静压力,随着类氢施主杂质从量子点左界面沿材料生长方向移至右界面,杂质态结合能在量子点的右半部分存在一极大值．流体静压力使得极大值点向量子点中心偏移．     

Static and dynamic study of magnetic properties in FeNi film on flexible substrate, effect of applied stresses

The influence of an external electric field on the binding energies of the ground state and excited states with the third-harmonic-generation (THG) coefficient for spherical quantum dot (QD) with parabolic confinement is investigated theoretically. The energy levels and wave functions of electronic states in the QDs are calculated using by variational method within the effective-mass approximation. The numerical results demonstrate that the THG coefficient very sensitively depends on the magnitude of the electric field and the radius of the QDs. In addition, the THG coefficient also depends on the relaxation rate of the spherical QD with parabolic confinement and the position of impurity.     

Squeezed magnetobipolarons in two-dimensional quantum dot

In this Letter, a different method was given for calculating the energies of the magnetobipolarons confined in a parabolic QD (quantum dot). We introduced single-mode squeezed states transformation, which are based on the Lee-Low-Pines and Huybrechts (LLP-H) canonical transformations. This method can provide results not only for the ground state energy but also for the excited states energies. Moreover, it can be applied to the entire range of the electron-phonon coupling strength. Comparing with the results of the LLP-H transformations, we have obtained more accurate results for the ground state energy, excited states energies and binding energy of the bipolarons. It shows that the magnetic field and the quantum dot can facilitate the formation of the bipolarons when η is smaller than some value.     

Phase transitions in a few-electron quantum dot in a magnetic field: Wigner phases and broken-symmetry spin-singlet states

We develop a variational many-body approach within a second quantized formulation for a few-electron system in a parabolic two-dimensional quantum dot (QD). By way of application, the nature of the ground state of a two-electron system in a parabolic QD in a broad range of magnetic fields is theoretically investigated. Various phase transitions on the basis of the resulting analytical expressions for energy of the system have been investigated: First, the well-known transition from a maximum density droplet to a Wigner phase in a magnetic field is obtained, provided that the QD is in conditions of weak confinement. Furthermore, in the case of relatively strong QD confinement and weak magnetic fields, a rotationally symmetric spin-singlet state is the ground state of the system. However, in a strong magnetic field and for the same QD confinement, a broken-symmetry spin-singlet state appears to be energetically favored over the symmetric spin-singlet state. A first investigation of such a broken-symmetry spin-singlet phase in a QD in a magnetic field is shown to be an important application of the proposed technique. The text was submitted by the authors in English.     

Two-electron impurity in the parabolic quantum dot: Uncertainty relation and perturbation approach

Two-electron impurity states in parabolic confinement have been investigated. We have estimated the ground-state energy value, using the Heisenberg uncertainty relation. Using variational methods the ground state energy and wave function of the single-electron impurity problem have been achieved. The dependence of ground-state energy and Coulomb electron–electron interaction energy correction on the QD size is studied. The dependence of the state exchange time on the QD radius has been calculated. It has been shown that the presence of the impurity leads to the appearance of negative values of the energy of the system on the one hand, and to the saturating character of the state exchange time.     

纤锌矿GaN柱形量子点中类氢施主杂质态

在有效质量近似和变分原理的基础上,选取含两个变分参数的波函数,研究了纤锌矿结构的GaN/AlxGa1-xN单量子点中类氢施主杂质体系的结合能随量子点(QD)尺寸以及杂质在量子点中位置的变化,并与以前使用不同尝试波函数的计算结果进行了比较。结果表明:由我们选取的两变分参数波函数得到的结果与前人选取的两变分参数波函数得到的结果相比有所改进,而与选取一个变分参数波函数得到的结果一致。同时我们还计算了体系的维里定理值随量子点半径的变化情况,所得结果与前人工作结果一致,说明本文选取的两变分参数波函数能很好地描述柱形量子点中施主杂质态的运动。