有限元法计算GaN/AIN量子点结构中的电子结构

根据有效质量理论单带模型,采用有限元方法(FEM)计算了GaN/AlN量子点结构中的电子结构,分析了应变和极化对电子结构的影响,计算了不同尺寸的量子点的能级,分析了量子点的大小对电子能级的影响.结果表明,形变势和压电势提升了电子能级,而且使简并能级分裂.随着量子点尺寸的增大,量子限制能减小,而压电势能起到更显著的作用,使电子的能级降低,吸收峰发生红移.     

有效质量差异和电场对GaN/AlxGa1-xN球形量子点电子结构的影响

用平面波展开法对GaN/AlxGa1-xN球形量子点中类氢杂质态能级随量子点半径Al组分以及结合能随Al组分的变化规律进行了详细讨论.计算了量子点内外有效质量差异对杂质态能级和结合能的修正,结果表明对于Al组分较高的GaN/AlxGa1-xN球形量子点,电子有效质量差异对杂质能级和结合能的修正不能忽略.考虑电子有效质量差异后,进一步具体计算了杂质结合能随量子点半径、杂质位置以及外电场的变化规律.     

GaAs/AlxGa1-xAs球形量子点中的电子结构

详细讨论了GaAs/AlxGa1-xAs球形量子点内的单电子束缚能级随量子点半径、Al组分以及外电场的变化规律,并计算了考虑量子点内外电子有效质量不同后对电子能级的修正. 另外,用解析和平面波展开两种方法对球形量子点内的电子能级进行了计算,并对计算结果做了比较,发现它们符合的很好. 结论和方法为量子点的研究和应用提供了有益的信息和指导.     

有效质量差异和电场对GaN/AlxGa1-xN球形量子点电子结构的影响

用平面波展开法对GaN/Al_xGa_1-xN球形量子点中类氢杂质态能级随量子点半径、Al组分以及结合能随Al组分的变化规律进行了详细讨论.计算了量子点内外有效质量差异对杂质态能级和结合能的修正,结果表明对于Al组分较高的GaN/Al_xGa_1-xN球形量子点,电子有效质量差异对杂质能级和结合能的修正不能忽略.考虑电子有效质量差异后,进一步具体计算了杂质结合能随量子点半 关键词： 球形量子点 平面波展开法 有效质量     

GaAs/AlxGa1-xAs球形量子点中的电子结构

详细讨论了GaAs/Al_xGa_1-xAs球形量子点内的单电子束缚能级随量子点半径、Al组分以及外电场的变化规律,并计算了考虑量子点内外电子有效质量不同后对电子能级的修正. 另外,用解析和平面波展开两种方法对球形量子点内的电子能级进行了计算,并对计算结果做了比较,发现它们符合的很好. 结论和方法为量子点的研究和应用提供了有益的信息和指导. 关键词： 球形量子点 解析方法 平面波展开方法 有效质量     

GaAs/AlxGa1-xAs球形量子点中的电子结构

详细讨论了GaAs/Al_xGa_1-xAs球形量子点内的单电子束缚能级随量子点半径、Al组分以及外电场的变化规律，并计算了考虑量子点内外电子有效质量不同后对电子能级的修正. 另外，用解析和平面波展开两种方法对球形量子点内的电子能级进行了计算，并对计算结果做了比较，发现它们符合的很好. 结论和方法为量子点的研究和应用提供了有益的信息和指导.     

极化效应对InGaN/GaN多量子阱结构光电特性的影响

通过求解修正的基于k·p方法的有效质量哈密顿方程并与泊松方程进行自洽,得到在极化效应影响下InGaN/GaN多量子阱的能带结构和自发辐射谱.计算结果表明,极化效应使InGaN/GaN多量子阱结构的带边由方形势变成三角形势,使导带和价带间的带隙宽度减小导致发光峰值波长红移,并使电子和空穴的分布产生空间分离从而减小发光效率...     

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.     

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.     

压力下GaN/Ga1-xAlxN量子点中杂质态的界面效应

考虑界面处导带弯曲,流体静压力以及有效质量随量子点位置的依赖性,采用变分法以及简化相干势近似,研究了无限高势垒GaN/Ga_1-xAl_xN球形量子点中杂质态的界面效应,计算了杂质态结合能随量子点尺寸、电子面密度以及压力的变化关系。结果表明,结合能随压力的增大呈线性增加的趋势,有效质量位置的依赖性以及导带弯曲对结合能有不容忽视的影响。     

Theoretical analysis of the electronic structure of truncated-pyramidal GaN/AlN quantum dots

We present a theoretical analysis of the electronic structure of GaN/AlN quantum dots (QD) with a hexagonal, truncated-pyramidal shape. We use a Fourier-transform technique that we had previously developed to calculate the 3D strain and built-in electric fields due to the QD structure. The electron and hole energy levels and wavefunctions are then calculated in the framework of an 8-band k·P model (with zero spin–orbit splitting), using an efficient plane-wave expansion method. We show that because of the large built-in piezoelectric and spontaneous polarization fields, the calculated transition energy is sensitive to variations in the wetting layer width, pyramid top diameter and also to the values chosen for the piezo-electric constants and spontaneous polarization values of bulk GaN and AlN. Numerical results are presented for a set of GaN/AlN QD structures that have been studied experimentally and described in the literature. We find that the calculated value of the ground-state optical transition energy for these structures is in good agreement with experiment.     

Electronic and optical properties of GaN/AlN quantum dots with adjacent threading dislocations

We present a theory to simulate a coherent GaN QD with an adjacent pure edge threading dislocation by using a finite element method. The piezoelectric effects and the strain modified band edges are investigated in the framework of multi-band $\bm k\cdot \bm p$ theory to calculate the electron and the heavy hole energy levels. The linear optical absorption coefficients corresponding to the interband ground state transition are obtained via the density matrix approach and perturbation expansion method. The results indicate that the strain distribution of the threading dislocation affects the electronic structure. Moreover, the ground state transition behaviour is also influenced by the position of the adjacent threading dislocation.     

Electronic structure and energy relaxation in strained InAs/GaAs quantum pyramids

We perform experimental and theoretical studies of the electronic structure and relaxation processes in pyramid shaped InAs/GaAs quantum dots (QDs), grown by molecular beam epitaxy in the Stranski-Krastanow growth mode. Structural properties are characterized with plan view and cross section transmission electron microscopy.Finite difference calculations of the strain and the 3D Schrödinger equation, taking into account piezoelectric and excitonic effects, agree with experimental results on transition energies of ground and excited states, revealed in luminescence and absorption spectra. We find as relative standard deviation of the size fluctuation ξ=0.04; the pyramid shape fluctuates between {101} and {203} side facets.Carrier capture into the QD ground state after carrier excitation above barrier is a very efficient process. No luminescence from excited states is observed at low excitation density. Energy relaxation processes in the zero-dimensional energy states are found to be dominated by phonon energy selection rules. However, multi-phonon emission (involving GaAs barrier, InAs wetting layer, InAs QD and interface modes) allows for a large variety of relaxation channels and thus a phonon bottleneck effect does not exist here.     

Strain distributions and electronic structure of three-dimensional InAs/GaAs quantum rings

This paper presents a finite element calculation for the electronic structure and strain distribution of self-organized InAs/GaAs quantum rings. The strain distribution calculations are based on the continuum elastic theory. An ideal three-dimensional circular quantum ring model is adopted in this work. The electron and heavy-hole energy levels of the InAs/GaAs quantum rings are calculated by solving the three-dimensional effective mass Schr?dinger equation including the deformation potential and piezoelectric potential up to the second order induced by the strain. The calculated results show the importance of strain and piezoelectric effects, and these effects should be taken into consideration in analysis of the optoelectronic characteristics of strain quantum rings.     

Built-in electric field effect on hydrogenic impurity in wurtzite GaN/AlGaN quantum dot

The binding energy of a hydrogenic donor impurity in a wurtzite (WZ) GaN/AlGaN quantum dot (QD) is investigated, including the strong built-in electric field effect due to the spontaneous and piezoelectric polarizations. Numerical results show that the strong built-in electric field induces an asymmetrical distribution of the donor binding energy with respect to the center of the QD. The donor binding energy is insensitive to dot height when the impurity is located at the right boundary of the QD with large dot height.     

Electronic structure of QD arrays: application to intermediate-band solar cells

Intermediate band solar cells (IBSC) have been proposed as a potential design for the next generation of highly efficient photo-voltaic devices. Quantum nanostructures, such as quantum dots (QD), arranged in super-lattice (SL) arrays produce a mini-band (IB) that is separated by a region of zero density of states from other states in the conduction band. Additional absorption from the valence band to the IB and IB to the conduction band allows two photons with energies below the energy gap to be harvested in generating one electron-hole pair. We present a theoretical study of the electronic and optical properties of the IB formed by an InAs/GaAs QD array. The calculations are based on an 8-band k · p Hamiltonian, incorporating mixing between valence and conduction states, strain and piezoelectric field. Theoretical results of the the mini-band width variation with the period of the QD array in the z direction are presented. For one particular spacer distance, d _z = 4 nm, we report detailed variation of the optical dipole matrix elements through the mini-band and identify the character of the states involved. This approach captures the essential physics of the absorption processes in a realistic model of the IBSC structure and will be used to provide input parameters for predictive modelling of transport properties.     

量子点中磁激子的极化子效应

采用推广的LLP方法研究了自组织量子点中磁激子的极化子效应。考虑带电粒子和声子的相互作用,得到了激子能量随磁场的变化关系。结果表明,激子-声子的相互作用降低了激子的能量,但影响很小;极化子效应在没有外磁场时较明显,随着外磁场的增加,这种效应变得越来越弱。     

Surface integral determination of built-in electric fields and analysis of exciton binding energies in nitride-based quantum dots

We present a simple analytical approach to calculate the built-in strain-induced and spontaneous piezoelectric fields in nitride-based quantum dots (QDs) and then apply the method to describe the variation of exciton, biexciton and charged exciton energy with dot size in GaN/AlN QDs. We first present the piezoelectric potential in terms of a surface integral over the QD surface, and confirm that, due to the strong built-in electric field, the electrons are localised near the QD top and the holes are localised in the wetting layer just below the dot. The strong localisation and smaller dielectric constant results in much larger Coulomb interactions in GaN/AlN QDs than in typical InAs/GaAs QDs, with the interaction between two electrons, J_ee, or two holes, J_hh, being about a factor of three larger. The electron–hole recombination energy is always blue shifted in the charged excitons, X⁻ and X⁺, and the biexciton, and the blue shift increases with increasing dot height. We conclude that spectroscopic studies of the excitonic complexes should provide a useful probe of the structural and piezoelectric properties of GaN-based QDs.     

Effects of hydrostatic pressure on ionized donor bound exciton states in strained wurtzite GaN/AlxGa1−xN cylindrical quantum dots

Based on the effective-mass approximation and variational procedure, ionized donor bound exciton (D⁺, X) states confined in strained wurtzite (WZ) GaN/Al_xGa_1-xN cylindrical (disk-like) quantum dots (QDs) with finite-height potential barriers are investigated, with considering the influences of the built-in electric field (BEF), the biaxial strain dependence of material parameters and the applied hydrostatic pressure. The Schrödinger equation via the proper choice of the donor bound exciton trial wave function is solved. The behaviors of the binding energy of (D⁺, X) and the optical transition associated with (D⁺, X) are examined at different pressures for different QD sizes and donor positions. In our calculations, the effective masses of electron and hole, dielectric constants, phonon frequencies, energy gaps, and piezoelectric polarizations are taken into account as functions of biaxial strain and hydrostatic pressure. Our results show that the hydrostatic pressure, the QD size and the donor position have a remarkable influence on (D⁺, X) states. The hydrostatic pressure generally increases the binding energy of (D⁺, X). However, the binding energy tends to decrease for the QDs with large height and lower Al composition (x<0.3) if the donor is located at z₀≤0. The optical transition energy has a blue-shift (red-shift) if the hydrostatic pressure (QD height) increases. For the QDs with small height and low Al composition, the hydrostatic pressure dependence of the optical transition energy is more obvious. Furthermore, the relationship between the radiative decay time and hydrostatic pressure (QD height) is also investigated. It is found that the radiative decay time increases with pressure and the increment tendency is more prominent for the QDs with large height. The radiative decay time increases exponentially reaching microsecond order with increasing QD height. The physical reason has been analyzed in depth.     

External Electric Field Effect on Hydrogenic Donor Impurity in Zinc-Blende InGaN Quantum Dot

The binding energy of a hydrogenic donor impurity in zinc-blende (ZB) InGaN quantum dot (QD) is calculated in the framework of effective-mass envelope-function theory using the plane wave basis. It is shown that the donor binding energy is highly dependent on the impurity position, QD size and the external electric field. The symmetry of the electron probability distribution is broken and the maximum of the donor binding energy is shifted from the centre of QD in the presence of the external electric field. The degenerating energy levels for symmetrical positions with respect to the centre of QD are split. The splitting increases with the increase of QD height while the splitting increases up to a maximum value and then decreases with the increase of QD radius.