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.     

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。     

介电受限对CdSe量子点中受限激子的影响

在有效质量近似条件下,通过Wang和Zunger给出的CdSe量子点介电常量与其半径的关系,利用变分方法计算了该量子点中受限激子的基态能及束缚能.结果表明,在考虑量子点介电常量随尺度减小的变化以后,受限激子的束缚能增大,基态能降低,更接近实验值.同时,也讨论了量子点介电常量的尺度效应和表面极化效应对受限激子的影响. 关键词：     

圆柱状量子点量子导线复合系统的激子能量和电子概率分布

建立了圆柱状量子点量子导线复合系统中激子满足的方程，用微扰论求出激子能量.以CdS/HgS/CdS/HgS/CdS圆柱状量子点量子导线复合系统为例，研究了系统中电子的概率分布和系统线度对激子能量的影响.结果表明：系统中电子、空穴以及激子的能量均随量子点高度h₀的增大而减小，电子-空穴相互作用对基态激子能量的影响要大于激发态；电子沿径向方向的概率分布呈起伏状，在轴线和表面附近的概率趋于零，而在R/2附近概率最大；在量子点附近电子沿轴向方向的概率分布呈振荡特征 关键词： 量子点 量子导线 激子 能量     

ZnO薄膜的激子能量和束缚能的计算

采用有效质量近似，将耦合在一起的6×6价带本征方程分开来考虑, 取激子试探波函数为z方向和x-y平面分离的形式，用变分法计算了ZnO薄膜重空穴带激子基态能、第一激发态能、束缚能和激子的半径随薄膜厚度的变化关系，并讨论了电子波函数的量子隧穿效应对厚度d<2.0 nm薄膜的能量修正. 关键词： 激子 ZnO薄膜 纤锌矿     

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.     

耦合锗量子点中空穴态对称特性研究

分别采用单带重空穴近似和六带Kronig-Penney模型, 对垂直耦合锗量子点在不同耦合距离下的空穴态特性进行了计算, 并探讨了自旋-轨道的相互作用对空穴态对称性的影响. 计算结果表明: 多带耦合的框架下, 随着量子点垂直间距的增大, 空穴基态从成键态转变为反键态, 而且价带基态能级和第一激发态能级发生反交叉现象, 这与单带模型下得到的相应结果存在较大差异. 通过分析六带模型计算得到的成、反键态波函数, 轻、重空穴态和自旋-轨道分裂态对特征空穴态波函数的贡献比例随着量子点垂直间距的增大发生了转变, 并最终导致量子点空穴基态波函数由成键态转变为反键态. 关键词： 耦合量子点 空穴态 成健态-反健态 自旋-轨道     

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     

无限深势阱下杂质量子点的能级计算

在有效质量近似下,垂直方向采用无限深势阱限制势,在x-y平面上,量子点内采用抛物势近似,在量子点边界处采用与实际情况更接近的无限深势阱.在中心杂质电荷为ηe时,利用波函数近似,得到基态和低激发态的能级,与x-y平面均采用抛物势时得到的能级进行了比较.计算发现在量子点真实半径比较小时,电子的基态和低激发态受其影响很大,而相应的能级随量子点的半径逐步增大.在量子点半径大于5倍有效玻尔半径时,能级受其影响已经变得很弱.并且,随着磁场的变化,量子点半径对基态和第一激发态的能级差的影响也很大.最后我们计算了杂质电子的基态束缚能并讨论了声子对其影响.     

应变纤锌矿GaN/A10.15Ga0.85N柱形量子点的光学性质：流体静压力效应

在有效质量近似下,考虑强的内建电场和应变对材料参量的影响,变分研究了流体静压力对有限高势垒应变纤锌矿GaN/Al0.15Ga0.85N柱形量子点中重空穴激子的结合能、发光波长和电子空穴复合率的影响.数值结果表明,激子结合能和电子空穴复合率随流体静压力的增大而近线性增大,发光波长随流体静压力的增大而单调减小.在量子点尺寸较小的情况下,流体静压力对激子结合能和电子空穴复合率的影响更明显.由于应变效应,为了获得有效的电子-空穴复合过程,GaN量子点的高度必须小于5.5 nm.     

强耦合表面激子内部激发态的性质

采用线性组合算符和幺正变换方法,研究极性晶体中强耦合表面激子内部激发态的性质.计算了表面激子的激发态能量、激发能量和平均声子数.     

Influence of strain on the magneto-exciton in single and coupled InP/GaInP quantum disks

We investigated theoretically the influence of strain on the exciton in both single and three vertically coupled self-assembled quantum dot systems in the presence of a perpendicular magnetic field. For the single disk, we find that the heavy-hole exciton is the ground state, while for the system of three stacked disks, the light hole state was found to be lower in energy. Results for the diamagnetic shift were compared with experimental results.     

Radiative life time of an exciton confined in a strained GaN/Ga1-xAlxN cylindrical dot: built-in electric field effects

The binding energy of an exciton in a wurtzite GaN/GaAlN strained cylindrical quantum dot is investigated theoretically.The strong built-in electric field due to the spontaneous and piezoelectric polarizations of a GaN/GaAlN quantum dot is included.Numerical calculations are performed using a variational procedure within the single band effective mass approximation.Valence-band anisotropy is included in our theoretical model by using different hole masses in different spatial directions.The exciton oscillator strength and the exciton lifetime for radiative recombination each as a function of dot radius have been computed.The result elucidates that the strong built-in electric field influences the oscillator strength and the recombination life time of the exciton.It is observed that the ground state exciton binding energy and the interband emission energy increase when the cylindrical quantum dot height or radius is decreased,and that the exciton binding energy,the oscillator strength and the radiative lifetime each as a function of structural parameters (height and radius) sensitively depend on the strong built-in electric field.The obtained results are useful for the design of some opto-photoelectronic devices.     

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 state energy of an exciton bound to an ionized donor impurity in semiconductor quantum wells

The ground state energy of an exciton bound to an ionized hydrogenic donor impurity placed at the centre of a semiconductor quantum well with finite barriers is calculated variationally as a function of the well width and the effective mass ratio of the electron and the hole within the envelope function approximation. For the GaAs/Ga_1-x Al_x As system with X = 0.15 and X = 0.30 the energy is minimum for a well width near 50 Angströms. This minimum is comprized between the values obtained in the 2D limits.     

Investigation of Dynamical Parameters of Exciton Confined in CdS Spherical Quantum Dots with a B-Spline Technique

Exciton energies as a function of radii of quantum dots in the range of 5-35 A are calculated based on effective mass approximation model with the B-spline technique and compared with experimental and other theoretical data for the CdS dots. This method leads to accurate and fast convergent exciton energy, which are in good agreement with experimental data in the whole confinement regime. The effect of penetration of wave function from the inside to the outside of the dots and the effect of dielectric constants are taken into account. The magnitudes of dynamical parameters are discussed. It is found that the different materials surrounding the CdS quantum dot affect not only the potential energy and Coulomb interaction energy of the system, but also the effective masses. The comparison shows that the effective mass approximation model can describe very well the quantum size effects observed experimentally on the exciton ground state energy.     

Exciton eigenstates and biexciton interaction energies in a spherical core/shell semiconductor hetero-nano structure

The exciton eigenstates and biexciton interaction energies in a spherical core–shell hetero-nano structure in the type II and the quasi-type II carrier localization regimes have been analyzed. For the analysis, we have evaluated the electron–hole overlap integral, the binding energy of exciton ground state, and the interaction energy of bi-exciton ground state in the structure. In the evaluation, the first order perturbation approach has been employed, where the direct Coulomb interaction energy, the surface polarization energy and the dielectric solvation energy are included. Our results show that the exciton eigenenergies and exciton–exciton interaction energy strongly depend on the choice of materials on which both the dielectric constants and the electron and hole effective masses rely.     

The role of finite hole mass in the negatively charged exciton in two dimensions

The role of finite hole mass on the ground and excited states of the negatively charged exciton in two dimensions is discussed. We present results of configuration-interaction calculation using exact excitonic states and results of a variational calculation of the ground-state energy to elucidate the interplay of finite hole mass and electron–electron interactions.     

Stark shift and dissociation process of an ionized donor bound exciton in spherical quantum dots

The effect of an electric field on the ground state energy of an exciton bound to an ionized donor (D⁺, X) was studied in CdSe spherical quantum dots where quantum confinement is described by an infinitly deep potential. Calculations have been performed in the framework of the effective mass approximation using a variational method by choosing an appropriate sixty-terms wave function taking into account different interparticles correlations and symetry distorsion induced by the electric field. It appears that the Stark shift is significant even for low fields and depends strongly of spherical dot sizes. The competition between the confinement effect and the Stark effect is discussed as function of the spherical dot size and the applied electric field strength. The (D⁺, X) Stark shift is estimated and its behavior is discussed as a function of the dot radius and electric field strength. The electron and hole average distances have also been calculated and the role of the ionized donor in the excitonic dissociation is established.