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     

Bound polaron in a spherical quantum dot under an electric field

A variational approach is used to study the ground state of a bound polaron in a spherical quantum dot under an external electric field. The binding energy of the hydrogenic impurity state is calculated by taking the interaction of an electron with both the confined longitudinal optical phonons and the surface optical phonons into account. The interaction between impurity and longitudinal optical phonons has also been considered to obtain the binding energy of a bound polaron. It shows that the polaron effects give significant corrections to the binding energy and its Stark energy shift. The external electric field increases the phonon contributions to the binding energy.     

抛物量子点中强耦合束缚极化子的性质

采用Pekar类型的变分方法研究了抛物量子点中强耦合束缚极化子的基态和激发态的性质。计算了束缚极化子的基态和激发态的能量、光学声子平均数。讨论了量子点的有效束缚强度和库仑束缚势对基态能量、激发态能量以及光学声子平均数的影响。数值计算结果表明:量子点中强耦合束缚极化子的基态和激发态能量及光学声子平均数均随量子点的有效束缚强度的增加而减小,基态、激发态能量随库仑束缚势的增加而减小,光学声子平均数随库仑束缚势的增加而增大。     

Fractional-dimensional polaron corrections in asymmetric GaAs-Ga1−xAlxAs quantum wells

Polaron effects in asymmetric GaAs-Ga_1−xAl_xAs quantum wells (QWs) are investigated within the framework of the fractional-dimensional space approach and by using second-order perturbation theory. A well-width dependence of the polaron corrections with a dip and a peak is obtained for both symmetric and asymmetric QWs. The dip and the peak occur in the case of asymmetric QWs for larger well widths than in the case of symmetric QWs. An enhancement of the contrast between the dip and the peak of the polaron energy shift is found for the case of asymmetric QWs. These results show the convenience of using asymmetric QWs instead of symmetric ones in any experimental attempt of detecting the dip and the peak of the polaron energy shift.     

A bound polaron in a spherical quantum dot

The binding energy of a bound polaron in a spherical quantum dot has been investigated by using the variational method. The influence of LO and SO phonons have taken into consideration. Result shows that the phonon contribution to the binding energy is dependent on the size of the quantum dot as well as the position of the impurity in the quantum dot. Numerical calculation on the ZnSe quantum dot shows that such contribution is about 5% to 20% of the total binding energy. Received: 13 October 1997 / Revised: 4 March 1998 / Accepted: 26 May 1998     

Exciton bound to an ionized donor impurity in GaAs/Ga1−xAlxAs ellipsoidal finite-potential quantum dots under hydrostatic pressure

In the framework of perturbation theory, a variational method is used to study the ground state of a donor bound exciton in a weakly prolate GaAs/Ga_1−xAl_xAs ellipsoidal finite-potential quantum dot under hydrostatic pressure. The analytic expressions for the Hamiltonian of the system have been obtained and the binding energy of the bound exciton is calculated. The results show that the binding energy decreases as the symmetry of the dot shape reduces. The pressure and Al concentration have a considerable influence on the bound exciton. The binding energy increases monotonically as the pressure or Al concentration increases, and the influence of pressure or Al concentration is more pronounced for small quantum dot size.     

声子之间相互作用对量子点中极化子性质的影响

研究了抛物量子点中弱耦合极化子的性质。采用线性组合算符和微扰法,导出了抛物量子点中极化子的基态能量。当计及电子在反冲效应中发射和吸收不同波矢的声子之间的相互作用时,讨论了对量子点中极化子的基态能量的影响。通过数值计算,结果表明,量子点中极化子基态能量随量子点的有效受限长度的减小而迅速增大,随电子-LO声子的耦合强度的增加而减少。当l₀>1.4时,声子之间的相互作用不能忽略。     

Hydrogenic donor impurity in a cubic quantum dot: effect of position-dependent effective mass

In this paper, we intend to study the effect of variable mass on the binding energy. In this regard, we apply an analytic expression for position-dependent effective mass in a cubic quantum dot. Then, we obtain the binding energies of a shallow donor in the quantum dot of GaAs/Al _x Ga_1−x As using a variational procedure within the effective mass approximation. Calculations are presented with a constant effective mass and position-dependent effective mass. It is found that (i) the binding energy decreases as the dot length increases in both the cases of constant and variable masses, (ii) an increase of binding energy is observed when the spatially varying mass is included, and (v) the binding energy shows complicated behavior when the position-dependent mass is included for the small dot size L ≤ 130 ?.     

束缚极化子有效质量的温度特性

采用改进的线性组合算符和幺正变换方法研究强、弱耦合束缚极化子的有效质量的温度特性,对RbCl晶体进行数值计算。结果表明,强耦合束缚极化子的振动频率和有效质量随温度的升高而增加,随库仑势的增加而增大。     

DOUBLE BOUND POLARON IN QUANTUM WELLS

We have proposed the Hamiltonian of the single or double polaron bound to a helium-type donor impurity in semiconductor quantum wells (QWs) in the case of positively charged donor center and neutral donor center. The couplings of an electron with various phonon modes are considered; in particular, the interaction of the impurity with the various phonon modes is included. We have calculated the binding energy of a bound polaron in Al_(xl)Ga_1-(xl)As/GaAs/Al_(xr)Ga_1-(xr) As symmetric and asymmetric QWs. The results are obtained as a function of barrier height (or equivalently of Al concent ration x), well width, and the position of impurity in the QWs. Our numerical calculations show clearly that for a thin well the cumulative effects of the electron-phonon coupling and the impurity-phonon coupling can contribute appreciably to the donor binding energy. The enhancement of polaronic effect is also found in the case of ionized donor.     

The electric field effect on binding energy of hydrogenic impurity in zinc-blende GaN/AlxGa1−xN spherical quantum dot

Within the framework of effective mass approximation, the binding energy of a hydrogenic donor impurity in zinc-blende GaN/Al_xGa_1−xN spherical quantum dot (QD) is investigated using the plane wave basis. The results show that the binding energy is highly dependent on impurity position, QD size, Al content and external field. The binding energy is largest when the donor impurity is located at the centre of the QD and the binding energy of impurity is degenerate for symmetrical positions with respect to the centre of QD without the external electric field. The maximum of the donor binding energy is shifted from the centre of QD and the degenerating energy levels for symmetrical positions with respect to the centre of QD are split in the presence of the external electric field. The binding energy is more sensitive to the external electric field for the larger QD and lower Al content. In addition, the Stark shift of the binding energy is also calculated.     

量子点中束缚极化子性质的温度依赖性

采用线性组合算符和幺正变换方法研究抛物量子点中弱耦合束缚极化子性质的温度依赖性,导出了弱耦合束缚极化子的振动频率、基态能量和声子平均数随温度的变化关系。取ZnS晶体为例进行数值计算,结果表明:量子点中弱耦合束缚极化子的振动频率、基态能量和声子平均数随温度的升高而增大。     

抛物量子点中强耦合束缚极化子的光学声子平均数

采用线性组合算符和幺正变换方法研究了在库仑场束缚下抛物量子点中强耦合束缚极化子的振动频率和光学声子平均数,并对其进行了数值计算。结果表明:强耦合束缚极化子的振动频率和光学声子平均数随量子点的有效受限长度的增加而减小,随电子-LO声子耦合强度的增强而增加,束缚极化子的振动频率随库仑势的增加而减小。     

Effects of concentration on magnetization in a diluted magnetic semiconductor quantum dot

The donor bound spin polaron in a Cd_1?xMn_xTe quantum dot is investigated theoretically. Spin polaronic shifts are estimated using a mean field theory. Magnetization is calculated for various concentrations of Mn²⁺ ions with the dot sizes. The lowest binding energies in a diluted magnetic semiconductor of a Cd_1?xMn_xTe quantum dot are also estimated. Using the effective mass approximation, calculations are presented with and without spatial dependent effective masses. It is found that (i) the lowest binding energy decreases with the dot radius (ii) position dependent mass gives larger binding energy for smaller dots (iii) the ionization energy becomes more when spin interaction energy is included (iv) variation of increase in ionization energy is sharper for smaller dots with increase in concentration and (v) the magnetization of Mn subsystem increases when concentration of Mn²⁺ ions increases and it has appreciable changes for smaller dots.     

Effects of electric field and size on the electron-phonon interaction in a spherical quantum dot with impurity

The effects of electric field and size on the electron-phonon interaction with an on-center impurity in a Zn_1?x Cd _x Se/ZnSe spherical quantum dot are studied, taking into account the interactions with confined, half-space and surface optical phonons. In addition, the interaction between impurity and phonons has also been considered. The results show that the electron-confined, electron-half-space, and electron-surface optical phonon interaction energies are all negative. The electron-confined optical phonon interaction energy is weakened by the electric field, but the electron-half-space and electron-surface optical phonon interaction energies are strengthened by it. In particular, the electron-surface optical phonon interaction depends strongly on the electric field, and it will vanish when the electric field is absent. It is also found that the electron-confined optical phonon interaction and electron-impurity “exchange” interaction energies reach a peak values as the quantum dot radius increases and then gradually decrease, but the electron-half-space optical phonon interaction energy exponentially quickly approaches 0 as the quantum dot radius increases.     

Optical properties of a hydrogenic impurity in a confined Zn1−xCdxSe/ZnSe spherical quantum dot

The effect of longitudinal optical phonon field on the ground state and low lying-excited state energies of a hydrogenic impurity in a Zn_1−xCd_xSe/ZnSe strained quantum dot is investigated for various Cd content using the Aldrich-Bajaj effective potential. We consider the strain effect considering the internal electric field induced by the spontaneous and piezoelectric polarizations. Calculations have been performed using Bessel function as an orthonormal basis for different confinement potentials of barrier height. Polaron induced photoionization cross section of the hydrogenic impurity in the quantum dot is investigated. We study the oscillator strengths, the linear and third-order nonlinear optical absorption coefficients as a function of incident photon energy for 1s-1p and 1p-1d transitions with and without the polaronic effect. It is observed that the potential taking into account the effects of phonon makes the binding energies more than the obtained results using a Coulomb potential screened by a static dielectric constant and the optical properties of hydrogenic impurity in a quantum dot are strongly affected by the confining potential and the radii. It is also observed that the magnitude of the absorption coefficients increases for the transitions between higher levels with the inclusion of phonon effect.     

抛物量子点中强耦合束缚磁极化子的声子平均数

采用线性组合算符和幺正变换方法导出了强耦合束缚磁极化子的振动频率和声子平均数。讨论了量子点的有效受限长度、磁场、库仑场和电子-LO声子耦合强度对抛物量子点中强耦合束缚磁极化子振动频率和声子平均数的影响。数值计算结果表明:强耦合束缚磁极化子的振动频率和声子平均数均随量子点的有效受限长度、回旋共振频率的增加而减小,随库仑束缚势的增加而增加,声子平均数随电子-LO声子耦合强度增加而减小。     

Defect chemical and statistical thermodynamic studies on oxygen nonstoichiometric Nd2 − xSrxNiO4 + δ

In order to elucidate how oxygen content changes in Nd_2 − xSr_xNiO_4 + δ (x = 0, 0.2, 0.4), defect chemical and statistical thermodynamic analyses were carried out. The relationship among δ, P(O₂), and T were analyzed by a defect equilibrium model. Since Nd_2 − xSr_xNiO_4 + δ shows metal like band conduction at high temperatures, chemical potential of hole is expressed by the integration of the Fermi-Dirac distribution function and the density of state. The nonstoichiometric variation of oxygen content in Nd_2 − xSr_xNiO_4 + δ can be explained by the defect equilibrium model with a regular solution approximation. Partial molar entropy and partial molar enthalpy of oxygen are calculated from the nonstoichiometric data and Gibbs–Helmholtz equation. The relationship among defect structure, defect equilibrium, and thermodynamic quantities is elucidated by the statistical thermodynamic model. Thermodynamic quantities are calculated by the statistical thermodynamic model with the results of defect chemical analysis and compared with those obtained from experimental results. Thermodynamic quantities calculated by the statistical thermodynamic model can explain rough tendency of those obtained from the δ–T–P(O₂) relationship.     

Energy of a bound polaron in a magnetic field in asymmetric polar semiconductor heterostructures

In this paper, a new modified Hamiltonian of a polaron bound to a donor impurity in asymmetric step quantum wells (QWs) in the presence of an arbitrary magnetic field is given, in which the coupling of an electron with confined bulk-like LO phonons, half-space LO phonons and interface phonon modes is included. Especially, the interaction of the impurity with all possible optical-phonon modes is also considered. The ionization energy of a bound polaron in a magnetic field for asymmetric step QWs are studied by using a modified Lee-Low-Pines (LLP) variational method. The effects of the finite electronic confinement potential and the subband nonparabolicity are also considered. The relative importance of the donor impurity located at the well and the step is analyzed. Our results show the interaction between the impurity and the phonon field in screening the Coulomb interaction has a significant influence on the binding energy of bound polaron. The influence of subband non-parabolicity is appreciable on the bound polaron effects for the narrow well. The binding energy of bound polaron given in this paper are excellent agreement with the experimental measurement.