Simulated Annealing for Ground State Energy of Ionized Donor Bound Excitons in Semiconductors

We present a global optimization method, called the simulated annealing, to the ground state energies of excitons. The proposed method does not require the partial derivatives with respect to each variational parameter or solving an eigenequation, so the present method is simpler in software programming than the variational method,and overcomes the major difficulties. The ground state energies of ionized-donor-bound excitons (D^ ,X) have beencal culated variationally for all values of effective electron-to-hole mass ratio σ. They are compared with those obtained by the variational method. The results obtained demonstrate that the proposed method is simple, accurate, and has more advantages than the traditional methods in calculation.     

抛物量子点中强耦合磁极化子的性质

采用Pekar类型的变分方法研究了抛物量子点中强耦合磁极化子的基态和激发态的性质。计算了基态和激发态磁极化子的束缚能以及磁极化子的共振频率。讨论了这些量对回旋频率和有效限制强度的依赖关系,以及磁极化子光学声子平均数的性质,结果表明:由于Zeeman劈裂,抛物量子点中磁极化子的回旋共振频率劈裂为两支。基态和激发态磁极化子的束缚能以及磁极化子的共振频率都随回旋频率的增加而增大,随量子点的有效束缚强度的增大而减小。     

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.     

Accurate wavefunctions for hydrogenic donors in GaAs(Ga,Al)As quantum dots

A simple variational wavefunction is proposed for calculating the energy of nodeless quantum states of a hydrogenic donor located at the centre of a spherical GaAs(Ga,Al)As quantum dot. Energies are calculated for the 1s, 2p and 3d states for a range of values of the radius of the quantum dot. The results are compared to the “exact” energies and for the ground state with the results obtained by using the wavefunction proposed by Porras-Montenegro and Perez-Merchancano [Phys. Rev. B 46 (1992) 9780]. For the range of quantum dot radii of practical interest, it is shown that the proposed wavefunction gives results of good accuracy. For the ground state, the results from the proposed wavefunction for R ≤ 4 are considerably better than those obtained from the wavefunction used by Porras-Montenegro and Perez-Merchancano.     

Polaronic exciton in quantum wells wires and nanotubes

We investigate the effect of the longitudinal-optical phonon field on the binding energies of excitons in quantum wells, well-wires and nanotubes based on ionic semiconductors. We take into account the exciton-phonon interaction by using the Aldrich-Bajaj effective potential for Wannier excitons in a polarizable medium. We extend the fractional-dimensional method developed previously for neutral and negatively charged donors to calculate the exciton binding energies in these heterostructures. In this method, the exciton wave function is taken as a product of the ground state functions of the electron polaron and hole polaron with a correlation function that depends only on the electron-hole separation. Starting from the variational principle we derive a one-dimensional differential equation, which is solved numerically by using the trigonometric sweep method. We find that the potential that takes into account polaronic effects always give rise to larger exciton binding energies than those obtained using a Coulomb potential screened by a static dielectric constant. This enhancement of the binding energy is more considerable in quantum wires and nanotubes than in quantum wells. Our results for quantum wells are in a good agreement with previous variational calculations. Also, we present novel curves of the exciton binding energies as a function of the wire and nanotubes radii for different models of the confinement potential.     

Quantum Transition of Two-Level System in a Parabolic Quantum Dot

The time evolution of the quantum mechanical state of an electron is calculated by using variational method of Pekar type on the condition of electric-LO phonon strong coupling in a parabolic quantum dot. We obtained the eigen energies of the ground state and the first-excited state, the eigen functions of the ground state and the first-excited state this system in a quantum dot may be employed as a two-level quantum system-qubit. The supposition electron is in system’s ground state in the initial time, the electron transit from the ground state to the excited state in presence of an electric field F along the x axis. The results indicate that the electron transition probability and the oscillation period increase with decreasing the electron-LO-phonon coupling constant, increasing the electric field and the confinement length.     

Self-consistent approach for calculations of exciton binding energy in quantum wells

We introduce a computationally efficient approach to calculating characteristics of excitons in quantum wells. In this approach we derive a system of self-consistent equations describing the motion of an electron–hole pair. The motion in the growth direction of the quantum well in this approach is separated from the in-plane motion, but each of them occurs in modified potentials found self-consistently. The approach is applied to shallow quantum wells, for which we obtained an analytical expression for the exciton binding energy and the ground state eigenfunction. Our numerical results yield lower exciton binding energies in comparison to standard variational calculations, while require reduced computational effort.     

Influence of the image charge effect on the hydrogen-like impurity-bound polaron in a spherical quantum dot in the presence of an electric field

We have investigated the influence of an external electric field on the binding energies and polaronic shifts of the ground and some first few excited states of a hydrogenic impurity in a spherical quantum dot by taking into account the image charge effect. By using Landau–Pekar variational method the general analytical expression is obtained for the impurity bound-polaron energies. It has been numerically identified the conditions (electric field, nominal radius of quantum dot, etc.) in which the bound-polaron states can be existence in GaAs quantum dot. We have shown that the polaronic shifts in the binding energy of 1s-like state are the same in cases with and without image charge effect while they for 2s-like state are not coincide and have different monotonic behavior versus confinement potential. Electron–phonon interaction lifts the degeneracy of the 2px-, 2py-, and 2pz-like states of a donor impurity and reduces their binding energies.     

量子点中强耦合极化子的性质

采用Pekar类型的变分方法研究了抛物量子点中强耦合极化子的基态和激发态的性质。计算了基态和激发态极化子的结合能、光学声子平均数和极化子的共振频率。讨论了这些量对有效限制强度和电子 体纵光学声子耦合强度的依赖关系。结果表明:抛物量子点中极化子的共振频率、基态和激发态极化子的结合能以及光学声子平均数都随量子点的有效束缚强度的增大而减小。光学声子平均数随电子 体纵光学声子耦合强度的增加而增大。     

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.     

温度对抛物量子点中强耦合磁极化子性质的影响

采用线性组合算符法和LLP变换法,研究了温度对抛物量子点中强耦合磁极化子性质的影响.首次得到了抛物量子点中强耦合磁极化子的基态能量和振动频率随温度的变化规律.结果表明,量子点中强耦合磁极化子的振动频率随温度的升高而减小,随量子点的受限强度、回旋频率和耦合强度的增加而增大.而基态能量随回旋频率、耦合强度和温度变化的规律与磁极化子的状态性质密切相关.磁极化子基态能量和振动频率随量子点的受限强度、回旋频率和耦舍强度的变化情况受温度的显著影响,不过,温度对磁极化子基态能量和振动频率的影响只有在较高温度(O<γ<0.5)时才显现.     

Magnetic field effect on state energies and transition frequency of a strong-coupling polaron in an anisotropic quantum dot

By employing a variational method of the Pekar-type, which has different variational parameters in the x–y plane and the z-direction, we study the ground and the first excited state energies and transition frequency between the ground and the first excited states of a strong-coupling polaron in an anisotropic quantum dot (AQD) under an applied magnetic field along the z-direction. The effects of the magnetic field and the electron–phonon coupling strength are taken into account. It is found that the ground and the first excited state energies and the transition frequency are increasing functions of the external applied magnetic field. The ground state and the first excited state energies are decreasing functions, whereas transition frequency is an increasing function of the electron–phonon coupling strength. We find two ways of tuning the state energies and the transition frequency: by adjusting (1) the magnetic field and (2) the electron–phonon coupling strength.     

无限深量子阱中强耦合极化子的基态结合能

研究了无限深量子阱中极化子的基态性质,采用线性组合算符和变分相结合的方法导出了强耦合极化子的振动频率λ、基态能量E₀和基态结合能E_b,讨论了阱宽L和电子-LO声子耦合强度α对强耦合极化子的振动频率λ、基态能量E₀和基态结合能E_b的影响。通过数值计算,结果表明:强耦合极化子的振动频率和基态结合能随阱宽L的增大而减小,随电子-LO声子耦合强度α的增强而增大;基态能量随阱宽L的增大而减小,其绝对值随电子-LO声子耦合强度α的增强而增大;当量子阱阱宽L趋近于无限大和无限小两种极限情况下,分别与三维和二维极化子的结果相一致。     

量子线中强耦合极化子的温度效应

采用Tokuda改进的线性组合算符法和有效质量下的变分法,研究在抛物势作用下,同时考虑电子与LO声子相互作用时,温度对量子线中强耦合极化子特性的影响。对RbCl晶体所作的数值计算结果表明,量子线中强耦合极化子的基态能量、平均数和光学声子平均数均随温度的升高而增加。     

The influences of electric field and temperature on state energies of a strong-coupling polaron in an asymmetric Gaussian potential quantum well

We investigate the electric field effect on the ground state (GS), the first-excited state (FES) and the excitation energies of a strong-coupled polaron in an asymmetric Gaussian potential (AGP) quantum well (QW) by using a variational method of the Pekar type (VMPT). By employing the quantum statistics theory (QST), we also study the temperature effects on the state energies (SE). It is found that the SE of polaron are an increasing function of temperature. The polaron's SE are decreasing functions of electric field, but the excitation energy is an increasing one.     

量子力学基态能量计算的改进蚁群优化算法

为进一步减少迭代次数和改善解的质量,对蚁群优化方法进行改进.在求解体系基态能上与传统的变分法相比有很大的优势.求解了氦原子基态能量,并应用于不同半径量子点中砷化镓类氢施主基态能量的计算.通过与变分法和遗传算法的比较,展示了算法的性能.     

Electronic states in a Pöschl–Teller-like quantum well: Combined effects of electric field, hydrostatic pressure, and temperature

The work is devoted to present a theoretical study of the influences of external probes, such as applied electric field and hydrostatic pressure, on the electron and hole states in a Pöschl–Teller quantum well. The calculations have been done in the framework of the variational method. The dependence of the ground state energy of an electron and/or hole confined in the quantum well has been obtained as a function of the applied electric field and hydrostatic pressure. Different values of the asymmetry parameters of the Pöschl–Teller potential as well as temperature have been considered. It is shown that as a result of the increase in the electric field there is an augment of the ground state energy, and also that by increasing the quantum well width the effects of applied electric field are strengthened. It is obtained from the calculations that the ground state energy is a decreasing (increasing) function of the hydrostatic pressure (temperature). It is found that in the high pressure regime the energy grows with pressure, which is a previously unknown result. In the case of holes, the energy is always an increasing function both of the pressure and the temperature. Besides, the behavior of the photoluminescence peak energies associated to transitions between the ground states of electrons and heavy holes in the system is also reported.     

Bound polaron in a quantum pseudodot under Rashba effect

In the present work, the influence of Rashba effect on bound polaron in a quantum pseudodot is studied. Using the Lee–Low–Pines unitary transformation method and the Pekar type variational procedure, we have derived an expression for the bound polaron ground state energy. The ground state energy as functions of the wave vector, the electron–phonon coupling strength, and quantum confinement size is obtained by considering different Coulomb bound potentials. It is found that (i) the ground state energy is decreased with raising the Coulomb bound potential, the electron–phonon coupling strength, and quantum confinement size. (ii) The ground state energy increases when the wave vector is increasing. (iii) The ground state energy splits into two branches (spin-up and spin-down) due to the Rashba effect.     

The single-determinant approximation with a local potential for excited states

The specific features of the calculations of the electronic structure in the approximation of a local exchange potential that is identical for all the electrons involved are considered. An optimized effective potential method is proposed for calculating the energies of excited electronic states of the same symmetry. A single-particle Schrö dinger equation is derived for an excited state whose orbitals are described by a single-determinant wave function orthogonal to the ground state. The equations determining the local potential for excited states are obtained within the variational approach. The solution to these equations is analyzed in the framework of the parameterized representation of the effective potential. The efficiency of the proposed method is demonstrated by calculating the energies of three excited states of the same symmetry for a HeH molecule. The difference between the results obtained by the Hartree-Fock method and the method proposed in this paper is equal, on average, to 0.05%. A comparison with the results obtained from precise calculations based on the configuration interaction method shows that the accuracy in determining the energy of the excited states by the optimized effective potential method is comparable to the accuracy in calculating the energy of the ground state.