Calculation of Binding Energies of the Ground and Excited States of a Donor in Quantum Wells: A Functional Variational Approach

The calculations of the ground and a few low-lying excited states of impurity in the quantum wells (QW's) are presented by making use of a functional variational approach. A new trial wave function is proposed. It is taken by the product of the exact subband state in the Q W and the state of two-dimensional (2D) hydrogenic-like donor with an effective charge distribution along the z-direction (perpendicular to the well interfaces). The variation of binding energies of the donor states in the QW with the well-width is calculated. The calculated result is compared with that obtained by the earlier variational method. The functional variational approach proposed here has some benefits such as, to bring a great flexibility and to apply to a relatively large species of trial wave functions.     

Impurity optical absorption in parabolic quantum well

Optical absorption in GaAs parabolic quantum well in the presence of hydrogenic impurity is considered. The absorption coefficient associated with the transitions between the upper valence subband and donor ground state is calculated. The impurity ground state wave function and energy are obtained using the variational method. Dependence of the absorption spectra on impurity position in quantum well was investigated. It is shown, that along with quantum well width decrease the absorption threshold shifts to higher frequencies. Results obtained within frames of parabolic approximation are compared with results for rectangular infinite-barrier quantum well case. The acceptor state → conduction band transitions considered as well.     

Impurity absorption in ZnSe/InP/ZnS core/shell/shell spherical quantum dots

Impurity states in ZnSe/InP/ZnS core/shell/shell spherical quantum dot where electrons are localized in the InP shell are considered using variational method. It is assumed that the hydrogenlike impurity is located in the center of quantum dot core (ZnSe). The impurity ground state wave function and energy, as well as electron binding energy are obtained. Interband direct transitions from the ground valence state into the ground donor state are considered. Dependences of absorption edge on the inner and outer radii of the quantum layer are derived.     

Properties of One-Dimensional Highly Polarized Fermi Gases

Using both the exact Bethe ansatz method and the variational method, we study properties of the one-dimensional Fermi polaron. We focus on the binding energy, effective mass, momentum distributions, Tan contact and correlation functions. As the attraction increases, the impurity is more tightly bound and correlated with the surrounding particles, and the size of formed polaron decreases. In addition, compared with the Bethe ansatz method, the variational method is totally qualified to study the one-dimensional Fermi polaron. The intrinsic reason is that the number of particle-hole excitations in a Fermi sea, caused by a single impurity, is always rather small. The variational method can be well extended to other impurity systems.     

Magnetic field effect on the binding energy of a hydrogenic impurity in coaxial GaAs/ AlxGa1−xAs quantum well wires

We propose a coaxial cylindrical quantum well wire (QWW) system, in which two conducting cylindrical layers are separated by an insulating layer. The ground state binding energy of a hydrogenic impurity subjected to uniform magnetic field applied parallel to the wire axis is studied within a variational scheme as a function of the inner barrier thickness for two different impurity positions and various barrier potentials. The ground state energy and wave function in the presence of a magnetic field is directly calculated using the fourth-order Runge–Kutta method. It is found that the binding energy in critical barrier thickness shows a sharp increase or decrease depending on the impurity position and magnetic field strength. The main result is that a sharp variation in the binding energy, which may be important in device applications, depends strongly not only on the location of the impurity but also on the magnetic field and the geometry of the wire.     

Mobility of two-dimensional electron gas in JFETS limited by polar-optic and impurity scattering

The theory of mobility of a two-dimentional electron gas in JFET structures limited by polar-optic phonon and impurity scattering is developed in this work. The energy level and the wave function of the lowest subband are obtained by a variational procedure. The mobility limited by polar-optic phonon scattering is obtained by solving the Boltzmann equation iteratively. The expression for the impurity scattering limited mobility is obtained by using the variational wave function. For numerical calculation, however, the electron gas is assumed to be strictly two-dimensional. It is found that for experimental range of impurity concentration in GaAs JFETs, impurity scattering is the dominant process even at 300K.     

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：     

浅杂质势与窄量子阱的耦合作用

本文采用一种新的变分波函数描述GaAs/Ga_1-xAl_xAs窄量子阱中的浅施主基态,并计算了杂质基态波函数和结合能。计算所得数值结果表明正确考虑窄量子阱与杂质势间的耦合作用是极为重要的。 关键词：     

Variational approach to spin fluctuations in the Hubbard model

We study a one parameter variational wave function to improve the spin density wave ground state of the Hubbard model by inclusion of quantum spin fluctuations. Using a perturbative approach and novel lattice summation techniques we present analytical as well as numerical results for the correlation energies and the staggered magnetizations in one and two dimensions. We find ground state energies which are satisfyingly close to known exact results and are significantly lower than those of existing Gutzwiller and numerical treatments.     

Impurity states in a spherical quantum dot with a modified P?schel-Teller potential

Quantum states and energy levels of an electron in a spherical quantum dot with a modified P?schel-Teller potential are studied. Analytical expressions for the wave function and energy of particle in the absence of impurity are obtained. Within the framework of variational method the impurity states are studied and by using numerical methods the dependences of the particle energy on the parameters of the spherical quantum dot are derived. Dependences of the electron binding energy on the half-width and depth of the potential well are revealed.     

重夸克偶素的高阶变分-积分微扰修正

利用基于积分方程的改进的变分微扰方法(变分-积分微扰法)求解重夸克偶素激发态.设置含有变分参数的母哈密顿量作为零级哈密顿量,选择该母哈密顿系统的精确解作为试探波函数,得到了只有几项的高阶修正波函数和高阶能量修正.该计算结果更接近精确能量值,修正波函数的有界性和收敛性也得到了证明.结果表明,这种方法不仅可提高计算结果的精度,而且可确保微扰级数解的收敛性. 关键词： 重夸克偶素 变分-积分微扰法 高阶能量修正     

Exact microscopic wave function for a topological quantum membrane

The higher dimensional quantum Hall liquid constructed recently supports stable topological membrane excitations. Here we introduce a microscopic interacting Hamiltonian and present its exact ground state wave function. We show that this microscopic ground state wave function describes a topological quantum membrane. We also construct variational wave functions for excited states using the noncommutative algebra on the four sphere. Our approach introduces a nonperturbative method to quantize topological membranes.     

Recent progress in simulation of the ground state of many Boson systems

We present two recent advances in the simulation of ⁴He in the condensed phase at zero temperature. Within the variational theory of strongly interacting bosons we have studied a cluster of ⁴He atoms with one alkali ion K⁺. For the wave function we have used a new shadow wave function (SWF) in which the coupling between one ⁴He atom and its shadow variable depends on its distance from the ion. This substantially improves the energy. The first shell around the ion contains 14 atoms which are spatially ordered. However the atoms of the first shell are not completely localized and frequent exchanges with atoms which are further from the ion take place. This also suggests that at least for the ion K⁺ the atoms of the first shell participate in the superfluidity. We have also introduced a new extension of the path integral ground state (PIGS) method which is able to compute exact ground state expectation values without extrapolations and with a SWF as the trial variational wave function to project on the ground state. This is an important extension which opens up the possibility of studying disorder phenomena in the solid phase by an exact method at zero temperature. We have applied this technique to compute the energy of formation of a vacancy at different densities in the solid phase of ⁴He. This computation confirms the variational result that a vacancy is a delocalized defect in the low density helium solid.     

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.     

Bose-Einstein condensation of incommensurate solid 4He

It is pointed out that the simulation computation of energy performed so far cannot be used to decide if the ground state of solid 4He has the number of lattice sites equal to the number of atoms (commensurate state) or if it is different (incommensurate state). The best variational wave function, a shadow wave function, gives an incommensurate state, but the equilibrium concentration of vacancies remains to be determined. We have computed the one-body density matrix in solid 4He for the incommensurate state by means of an exact ground state projector method in which incommensurability occurs spontaneously. We find a vacancy induced Bose-Einstein condensation of about 0.23 atoms per vacancy at a pressure of 54 bar. This means that bulk solid 4He is supersolid at low enough temperature if the exact ground state is incommensurate.     

Electronic States of a Shallow Hydrogenic Donor Impurity in Different Shaped Semiconductor Quantum Wells

The shallow hydrogenic donor impurity states in square, V-shaped, and parabolic quantum wells are studied in the framework of effective-mass envelope-function theory using the plane wave basis. The first four impurity energy levels and binding energy of the ground state are more easily calculated than with the variation method. The calculation results indicate that impurity energy levels decrease withthe increase of the well width and decrease quickly when the well width is small.The binding energy of the ground state increases until it reaches a maximum value,and then decreases as the well width increases. The results are meaningful andcan be widely applied in the design of various optoelectronic devices.     

Variational study of the ground state energy of theE−b 1,b 2 Jahn-Teller system

In this paper a variational method for the ground state energy approximation of theE−b ₁,b ₂ Jahn-Teller system is presented. This method is based on the choice of a suitable variational ground state wave function. This trial wave function — a correlated squeezed state — is used to account for the correlation and anharmonicity of the interaction between the two vibrational modes; the anharmonicity of both modes is taken into account by the squeeze effects of these modes. The ground state of mode 1 in this trial wave function is considered as a linear combination of the two displaced harmonic oscillators. The ground state energies for the linearE - e Jahn-Teller system calculated by this method are not only in good agreement with the exact diagonalization results, but they are also better than those from the previous analytical studies. Another conclusion which results from the presented model is the following one: the squeezing effect of mode 1 for the linearE - e Jahn-Teller system is substantially smaller, in contrast with the results which are presented in the previous analytical studies.     

Diagonalizations on a correlated basis

Unsymmetrical quantum-dot systems are generally difficult to study using wave-function techniques, like quantum Monte Carlo (QMC) or exact diagonalization (ED) methods. The initial trial wave function for Monte Carlo methods is difficult to find, and the exact diagonalization method can only handle very few particles.In this article a two-dimensional semiconductor quantum dot containing a non-centered impurity ion is studied, using a new exact wave-function method. Results are analyzed and compared to density-functional-theory calculations. The computational method allows one to relax the commonly used lowest-Landau level (LLL) approximation, and it's effects are studied, e.g., on the charge and current density profiles.The method, which is a combination of QMC and ED methods, is described. It combines the scalability of Monte Carlo methods with the benefits of exact diagonalization, and allows one to accurately obtain the wave function for unsymmetrical quantum dots up to more than ten electrons. Also, excited states are accessible and are analyzed in this article.     

Practical use of variational principles for modeling water waves

This paper describes a method for deriving approximate equations for irrotational water waves. The method is based on a ‘relaxed’ variational principle, i.e., on a Lagrangian involving as many variables as possible. This formulation is particularly suitable for the construction of approximate water wave models, since it allows more freedom while preserving a variational structure. The advantages of this relaxed formulation are illustrated with various examples in shallow and deep waters, as well as arbitrary depths. Using subordinate constraints (e.g., irrotationality or free surface impermeability) in various combinations, several model equations are derived, some being well-known, other being new. The models obtained are studied analytically and exact traveling wave solutions are constructed when possible.     

外电场下极性量子阱中杂质态结合能

我们用变分方法研究了外电场下量子阱中的杂质态结合能,计算中既考虑了电子同体纵光学声子和界面光学声子的相互作用又考虑了杂质中心同体纵光学声子和界面光学声子的相互作用。我们以GaAs/Al_0.3Ga_0.7As量子阱为例,讨论了结合能随杂质位置、阱宽和电场强度的变化规律。得到了电子-声子相互作用对杂质态结合能和斯塔克效应的修正是相当明显的。