Ⅲ——Ⅴ族半导体中的深杂质态

为确定禁带中深能级位置与杂质波函数定域化之间的关系,把最近发表的赝势杂质计算进行了推广。过去曾发现,这些函数定域在距中心最近邻的距离内,而且这种定域化不是有关能级在禁带中位置的敏感函数。如果从波矢空间不同部分的贡献来研究杂质能量和波函数的形成,就能够解释这个结果。导带和价带二者的贡献都很大,因为通常它们的符号相反,所以能级的最终位置取决于仔细的抵消过程。这个过程也影响了波函数的波节结构。过     

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.     

在磁场作用下含有杂质的半导体量子环中电子的能级

由于量子环特殊的结构,我们尝试过不少方法,发现一般传统方法很难求解薛定谔方程,故很难求出它的波函数和能级。国内外很多学者从事这方面的研究,但发表的文献非常少。有必要寻找一些新的方法从事这方面的研究工作,本文中采用了B样条函数近似拟合波函数的方法,计算了一个在谐振子束缚势和磁场作用下含有杂质的二维量子环中的电子能级。研究了电子能级随磁场强度、束缚势的变化关系以及电子能级与量子环半径的关系。我们发现电子能级随磁场强度、束缚势强度的增强而增强;每一个能级都有一个最小值在特定的量子环半径上,并且随着能级的增加,最小值的位置向半径大的方向偏移。     

GaP中替代缺陷对的A_1对称性深能级波函数

本文在Koster-Slater格林函数方法和在位(on site)势近似的基础上,提出了一个计算替代杂质对的完整方法,并成功地应用于GaP中O替代杂质对。第一次给出了O-Zn和O-Cd对的波函数。我们发现波函数主要集中在O周围4个格点并指向O的化学键上。然而在这4个键上,波函数的分量并不相等,在O—杂质键上的分量要比其它键上的值小。杂质的排斥势越大,则分量值的不平衡越明显。而波函数的其余部分较为平坦地分布在一相当大的空间内。     

二维环状δ势的束缚态

讨论了二维自由空间和各向同性谐振子势下环状δ势束缚态波函数的表示,发现波函数由合流超几何函数和屈科米函数表示.由波函数在边界的衔接条件,得到了能谱方程,并给出了一定条件下前5个能级的数值解.     

GaP中替代缺陷对的A1对称性深能级波函数

本文在Koster-Slater格林函数方法和在位(onsite)势近似的基础上,提出了一个计算替代杂质对的完整方法,并成功地应用于GaP中O替代杂质对。第一次给出了O-Zn和O-Cd对的波函数。我们发现波函数主要集中在O周围4个格点并指向O的化学键上。然而在这4个键上,波函数的分量并不相等,在O—杂质键上的分量要比其它键上的值小。杂质的排斥势越大,则分量值的不平衡越明显。而波函数的其余部分较为平坦地分布在一相当大的空间内。 关键词： GaP     

用点正则变换方法求解双原子分子的双曲型Poschl-Teller势的束缚态

采用在点正则变换下形状不变势的映射方法,给出了将Poschl-Teller Ⅰ势映射至Poschl-Teller Ⅱ势的点正则变换,并从Poschl-TellerI势的束缚态能级和波函数求得了Poschl-Teller Ⅱ势的束缚态能级和波函数.     

用点正则变换方法求解双原子分子的双曲型P?schl-Teller势的束缚态

采用在点正则变换下形状不变势的映射方法,给出了将Poschl-Teller Ⅰ势映射至Poschl-Teller Ⅱ势的点正则变换,并从Poschl-TellerI势的束缚态能级和波函数求得了Poschl-Teller Ⅱ势的束缚态能级和波函数.     

硅中的过渡元素杂质能级

本文提出了半导体中过渡元素杂质的一个简单模型,用格林函数方法计算了硅中替代和间隙原子产生的杂质能级和波函数。发现两者的性质有很大的差别。替代原子只有当d原子能级V_d低于价带顶时才能产生杂质能级。它的波函数主要是悬键态,当能级靠近导带边时变成正键态。间隙原子只有当V_d高于价带顶时才能产生杂质能级。它的波函数主要是中心原子d态,当能级靠近导带边时变成弱反键态。最后定性地说明了过渡元素杂质能级的化学趋势和一些实验事实。 关键词：     

非球谐振子势Schr(o)dinger方程的精确解

将非球谐振子势V(r)=ar2+br4+cr6径向波函数展开为指数函数与多项式函数的乘积,应用多项式函数的系数关系确定了体系的能级和波函数.结果表明,体系处于束缚态时,势参数a,b,c必须满足一定的约束条件.     

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。     

Model of periodic superstructure formation induced by mobile defects on a semiconductor surface

A model for forming a periodic superstructure on a semiconductor surface with mobile defects is proposed. It is shown that a self-organized system of such defects could lead to considerable modulation of incommensurate phase parameters in near-surface layers under the conditions of defect interaction with an incommensurate displacement wave. This type of defect system could induce a substantial energy decrease for the incommensurate phase and its additional stabilization on the one hand, and an increase in modulation amplitude that might be accompanied by a soliton-like nonsinusoidal incommensurate displacement wave on the other. The model allows us to explain the experimental results regarding the periodic superstructure discovered by G.V. Benemanskaya et al. on the surface of a GaN semiconductor. In particular, the model enables us to explain the nature of such superstructures based on the self-organization of mobile neutral triad-type defects, composed of negatively charged (3−) vacancies of the host lattice centers of Ga³⁺ and surface impurity ions of Cs⁺ and Ba²⁺, under conditions of triad interaction with an incommensurate displacement wave.     

Spinful fermionic ladders at incommensurate filling: Phase diagram,local perturbations,and ionic potentials

We study the effect of external potential on transport properties of the fermionic two-leg ladder model. The response of the system to a local perturbation is strongly dependent on the ground state properties of the system and especially on the dominant correlations. We categorize all phases and transitions in the model (for incommensurate filling) and introduce “hopping-driven transitions” that the system undergoes as the inter-chain hopping is increased from zero. We also describe the response of the system to an ionic potential. The physics of this effect is similar to that of the single impurity, except that the ionic potential can affect the bulk properties of the system and in particular induce true long range order.     

Simulation studies of the scattering of a solitary wave by a mass impurity in a chain of nonlinear oscillators

We have simulated large amplitude motion in cyclic one-dimensional lattices of Morse potential oscillators with a mass impurity, and have observed an unexpected persistence of solitary wave behavior for which we are unable to discover a satisfactory explanation. In solitary wave motion as a function of cycle length and of initial energy, the most common feature of the dynamics is an initial energy plateau with regular oscillatory energy exchange between the solitary wave and other excitations of the lattice, followed by rapid decay. Some systems show no decay at all through 1000 impurity interactions, while others show no significant plateau before decaying. For some cycle lengths there are energy bands in which the solitary wave propagates indefinitely long, with small amplitude oscillatory exchange of energy with the lattice. No regularities were found.     

The isotropic-to-nematic transition in a two-dimensional fluid of hard needles: a finite-size scaling study

Laser dependence of binding energy on exciton in a GaAs quantum well wire embedded on an AlGaAs wire within the single band effective mass approximation is investigated. Laser dressed donor binding energy is calculated as a function of wire radius with the renormalization of the semiconductor gap and conduction valence effective masses. We take into account the laser dressing effects on both the impurity Coulomb potential and the confinement potential. The valence-band anisotropy is included in our theoretical model by using different hole masses in different spatial directions. The spatial dielectric function and the polaronic effects have been employed in a GaAs/AlGaAs quantum wire. The numerical calculations reveal that the binding energy is found to increase with decrease with the wire radius, and decrease with increase with the value of laser field amplitude, the polaronic effect enhances the binding energy considerably and the binding energy of the impurity for the narrow well wire is more sensitive to the laser field amplitude.     

Energy gaps for fractional quantum Hall states described by a Chern-Simons composite fermion wavefunction

The Jain's composite fermion wavefunction has proven quite succesful to describe most of the fractional quantum Hall states. Its mathematical foundation lies in the Chern-Simons field theory for the electrons in the lowest Landau level, despite the fact that such wavefunction is different from a typical mean-field level Chern-Simons wavefunction. It is known that the energy excitation gaps for fractional Hall states described by Jain's composite fermion wavefunction cannot be calculated analytically. We note that analytic results for the energy excitation gaps of fractional Hall states described by a fermion Chern-Simons wavefunction are readily obtained by using a technique originating from nuclear matter studies. By adopting this technique to the fractional quantum Hall effect we obtained analytical results for the excitation energy gaps of all fractional Hall states described by a Chern-Simons wavefunction. Received 9 March 2001     

Polaronic Effects on the Impurity Binding Energy in a Polar Crystal Slab Within an Electric Field

The effects of the interaction between electron and bulk longitudinal optical (LO) phonon and surface optical (SO) phonon on the impurity binding energy of the ground state in a polar crystal slab within an external electric field are derived by using the method of a variational wavefunction. The binding energy of the bound polaron is obtained as a function of the impurity position, the slab thickness and the electric field strength. It is found that the polaronic correction to the impurity binding energy by the SO phonon may be enhanced and that by the LO phonon may be reduced with increasing electric field strength. And the effect of the electron-phonon interaction is quite important in increasing the values of binding energy.     

Transport properties of surface acoustic wave based single electron transport device in the presence of an impurity potential

We report the transport properties of a surface acoustic wave based single electron transport device, which contains an unintentional quantum dot induced by background impurity potential fluctuations. It is found that the presence of the impurity potential can cause a deviation of the acoustoelectric current from its quantized value. Through the charging effect of the quantum dot induced by the impurity, we get an approximate relationship between the applied gate voltage and its corresponding electrostatic potential barrier height, together with the Coulomb charging energy needed to add a second electron into the dynamic quantum dot. Moreover, the amplitude of the surface acoustic wave is also estimated within a simple model.     

Helicoidal ordering in iron perovskites

We study the double exchange in transition metal oxides with itinerant and localized electrons. We show that the charge transfer energy Delta and the oxygen-oxygen hopping amplitude t(pp) have a strong effect on magnetic ordering: while for Delta>0 the ground state is ferromagnetic, for negative Delta and large t(pp) the double exchange gives rise to an incommensurate helicoidal ordering of local spins, observed, e.g., in the iron perovskites SrFeO3 and CaFeO3. For negative Delta, the metal-insulator transition into a charge-ordered state has little effect on magnetic ordering. This explains the difference in magnetic and transport properties of ferrates and manganites.