Properties of a Magneto-Exciton in a Quantum Well

The ground state energies of an exciton in a GaAs/Ga_1-xAl_xAs quantum well structure for perpendicular magnetic field of arbitrary strength are studied. The results show that the energy of the magneto exciton will be increased with the increase of quantum well width and magnetic field strength.     

电场下GaAs/Ga1-xAlxAs量子阱中的子带和激子

本文利用有限势垒模型,研究电场对GaAs/Ga_1-xAl_xAs量子阱中子带和激子的影响。对阱宽为105?的GaAs/Ga_0.66Al_0.34As量子阱,电场由0—1.2×10⁵V/cm,我们计算了电子和空穴的子带以及激子的结合能。基于上述计算结果,所得电子-空穴重叠函数和激子峰的能量移动与实验测量符合得较好。 关键词：     

Resonant Frequency of Impurity Polaron in a Quantum Well

It is shown that the resonant frequency ω_c^* of a magnetopolaron bound to a Coulomb impurity in a GaAs/Ga_1-xAl_x AS quantum well is lower than that oflongitudinal optical (LO) phonons owing to the effect of the Coulomb potential. Using MacDonald method to treat the Coulomb potential we come to the conclusion that ω_c^* is really below the frequency of LO phonons but not "pinning" at a frequency near that of TO phonons.     

Donor Binding Energy in GaAs/Ga1-x AlxAs Quantum Well: the Laser Field and Temperature Effects

Based on the effective-mass approximation theory and variational method, the laser field and temperature effects on the ground-state donor binding energy in the GaAs/Ga_1-xAl_xAs quantum well (QW) are investigated. Numerical results show that the donor binding energy depends on the impurity position, laser parameter, temperature, Al composition, and well width. The donor binding energy is decreased when the laser field and temperature are increased in the QW for any impurity position and QW parameter case. Moreover, the laser field has an obvious influence on the donor binding energy of impurity located at the vicinity of the QW center. In addition, our results also show that the donor binding energy decreases (or increases) as the well width (or Al composition x) increases in the QW.     

Optical Conductivity of Impurity-Doped Parabolic Quantum Wells in an Applied Electric Field

The optical conductivity of impurity-doped parabolic quantum wells in an applied electric field is investigated with the memory-function approach, and the analytic expression for the optical conductivity is derived. With characteristic parameters pertaining to GaAs/Ga_1-xAl_xAs parabolic quantum wells, the numerical results are presented. It is shown that, the smaller the well width, the larger the peak intensity of the optical conductivity, and the more asymmetric the shape of the optical conductivity; the optical conductivity is more sensitive to the electric field, the electric field enhances the optical conductivity; when the dimension of the quantum well increases, the optical conductivity increases until it reaches a maximum value, and then decreases.     

Cyclotron Resonance of a Magnetopolaron in a Quantum Well at Finite Temperatures

Taking into account the interaction of an electron with both bulk longitudinal-optical (BO) and surface-optical (SO) phonons, the cyclotron resonance of a magnetopolaron in a quantum well at finite temperatures is investigated by using the generalized Larsen perturbationtheory method. It is shown that the absorption and emission resonances must be considered at the same time at finite temperatures. The results also show that the electron-SO phonon interaction plays an important role as well as the electron-BO phonon interaction, especially when the quantum well width is getting thinner. For an experimentally interesting GaAs/Ga_1-xAl_xAs sandwich structure, the splitting of the cyclotron resonance spectrum and the temperature dependence of two splitting cyclotron resonance mass of the magnetopolaron in the resonant magnetic field region have been studied.     

Influence of Electric and Magnetic Fields on the Polaron in a Quantum Well

A combinative method of variational wavefunction and harmonic oscillator operator algebra, the ground-state energy correction to an electron confined in the quantum well of GaAs/Ga_1-xAl_x, As in the electric and magnetic fields along the growth axis has been studied by taking into account the interaction of different optical phonon modes with the electron. The ground-state energy is obtained as a function of the well width and the strength of electric and magnetic fields. The results show that the magnetic field greatly enhances the in terface-phonon part of the polaronic correction to electron ground-state energy in the well width d ≤ 300 Å. The electric field also enhances the polaron effect of interface mode, but decreases the part of bulk longitudinal mode.     

Binding Energies of the Electron in GaAs-Gal-xAlxAs Quantum Well Under Perpendicular Magnetic Field

We have calculated the binding energies of the ground state of hydrogenic donor in GaAs-Ga_1-xAl_xAs quantum well of finite barrier height in the prcscnce of a magnetic field, which is taken to be parallel to the axis of growth of the quantum-well structure. We have used the strong-perturbation theory and the perturbative-variational approach. Our results are given as a function of the size of the quantum well.     

Electronic band structure of a type-II ’W’ quantum well calculated by an eight-band k·p model

In this paper, we present an investigation of type-II 'W' quantum wells for the InAs/Ga_1-xIn_xSb/AlSb family, where 'W' denotes the conduction profile of the material. We focus our attention on using the eight-band k?p model to calculate the band structures within the framework of finite element method. For the sake of clarity, the simulation in this paper is simplified and based on only one period---AlSb/InAs/Ga_1-xIn_xSb/InAs/AlSb. The obtained numerical results include the energy levels and wavefunctions of carriers. We discuss the variations of the electronic properties by changing several important parameters, such as the thickness of either InAs or Ga_1-xIn_xSb layer and the alloy composition in Ga_1-xIn_xSb separately. In the last part, in order to compare the eight-band k?p model, we recalculate the conduction bands of the 'W' structure using the one-band k?p model and then discuss the difference between the two results, showing that conduction bands are strongly coupled with valence bands in the narrow band gap structure. The in-plane energy dispersions, which illustrate the suppression of the Auger recombination process, are also obtained.     

Ground state energy of an exciton bound to an ionized donor impurity in semiconductor quantum wells

The ground state energy of an exciton bound to an ionized hydrogenic donor impurity placed at the centre of a semiconductor quantum well with finite barriers is calculated variationally as a function of the well width and the effective mass ratio of the electron and the hole within the envelope function approximation. For the GaAs/Ga_1-x Al_x As system with X = 0.15 and X = 0.30 the energy is minimum for a well width near 50 Angströms. This minimum is comprized between the values obtained in the 2D limits.     

First-Principles Calculations of the AS,, Electronic Structures

The changes in the GaAs electronic structure due to the arsenic-antisite defect have been calculated by using LDF-LMTO-ASA method to a D_2d-symmetry-supercell ( Ga₁₅As₁₇□₃₂)c,o ntains 15 gallium atoms, 17 arsenic atoms and 32 empty spheres. The results show that the central AsGa atom is antibonding with its nearest neighbor arsenic atoms and therefore induces gap states in GaAs. The gap states are composed of A₁-like state and T₂-like state. The bonding properties of gap states have been analyzed in detail by using density of states (DOS) and combined coefficients of wavefunctions. Our results of E_A1 =E_v+0.70 eV and= E_T2+1.07eV are in good agreement with experiments as well as previous calculation results obtained by other self-consistent methods.     

Substitution Effects on MgB2 Superconductivity

With the help of supercell method, the first-principle calculations were performed for the study of doping crystal Mg_1-xAl_xB₂ and Mg(B_1-yC_y)₂. Analyzing the variations of the charge distribution and the partial densities of states, we found that the compounds with doping Al to MgB₂ compound and/or replacing boron by carbon exhibit new covalent bond effects and unexpected electronic properties, related to superconductivity. The study of the density of states indicates that superconductivity decreases with the increase of Al fraction and carbon concentration. There exists a transition of superconductor to non-superconductor with the change of Al doping fraction. The substitution of boron by carbon results in the decrease of the transition temperature since the decrease of the electron concentration and the lattice constant. The theoretical predictions agree with experimental observations.     

(Ga,Mn)As光调制反射光谱

室温下我们研究了稀磁半导体(Ga,Mn)As的光调制反射(PR)光谱,观测到来自样品的Franz-Keldysh振荡(FKO)信号。随着Mn原子浓度的增加,PR线形展宽,但是临界点E₀和E₀+Δ₀没有明显的移动。根据FKO振荡数据,计算得到样品表面电场强度随Mn原子掺杂浓度的增加而增强。测量到与Mn原子掺杂相关的杂质带,其能量位置离GaAs价带边~100 meV。根据样品的表面电场强度和表面耗尽层模型,估算样品的空穴浓度为~10¹⁷cm^-3,较低的空穴浓度可能与样品具有较低的居里温度有关,或测量的PR信号来自于样品中外延层的部分耗尽区域。     

Simultaneous Effects of HydrostaticPressure and Conduction Band Non-parabolicity on BindingEnergies and Diamagnetic Susceptibility of a Hydrogenic Impurityin Spherical Quantum Dots

Simultaneous effects of conduction band non-parabolicity and hydrostatic pressure on the binding energies of 1S, 2S, and 2P states along with diamagnetic susceptibility of an on-center hydrogenic impurity confined in typical GaAs/Al_xGa_1-xAs spherical quantum dots are theoretically investigated using the matrix diagonalization method. In this regard, the effect of band non-parabolicity has been performed using the Luttinger-Kohn effective mass equation. The binding energies and the diamagnetic susceptibility of the hydrogenic impurity are computed as a function of the dot radius and different values of the pressure in the presence of conduction band non-parabolicity effect. The results we arrived at are as follows: the incorporation of the band edge non-parabolicity increases the binding energies and decreases the absolute value of the diamagnetic susceptibility for a given pressure and radius; the binding energies increase and the magnitude of the diamagnetic susceptibility reduces with increasing pressure.     

First-Principles Studies for the Electronic Structures of Diluted Magnetic Semiconductors （Ga, Fe）As

First-principles LMTO-ASA band calculations are performed for Ga1-xFezAs (x = 1, 1/4, 1/8) by assuming supercell structures. It is found that the antiferromagnetic (AFM) state is stable for x = 1/4. For x = 1/8, ferromagnetic (FM) state is more stable than AFM state, and no stable magnetic state exists for x = 1. In both the cases the magnetic moments of As and Ga atoms are parallel to those of the nearest Fe atoms due to the p-d hybridization. Fhrther, the band structure shows rather localized Fe 3d state in the gap, and the parallel polarization is confined rather in the vicinity of Fe site.     

Interface-related effects on confined excitons in GaAs/AlxGa1−xAs single quantum wells

Confined excitons in non-abrupt GaAs/Al_xGa_1−xAs single quantum wells are studied. The graded interfaces are described taking into account fluctuations in their thickness a and positioning with respect to the abrupt interface picture. Numerical results for confined (0,0),(1,1) and (0,2) excitons in GaAs/Al_0.3Ga_0.7As quantum wells show that while the interfacial fluctuations produce small changes (<0.5 meV) in the exciton binding energies, the confined exciton energies can be red- or blue-shifted as much as 25 meV for wells with mean width of 50 Å and 2 ML wide interfaces.     

Intrinsic defects in GaAs and InGaAs through hybrid functional calculations

Vacancies, antisites, and dangling bonds in GaAs and In_0.5Ga_0.5As are studied through hybrid density functionals. The As antisite is found to have a low formation energy in As-rich conditions and defect levels at mid-gap in correspondence of experimental defect densities at the GaAs/oxide and InGaAs/oxide interfaces. In n-type GaAs, the Ga vacancy also shows defect levels in agreement with measured defect densities and competitive formation energies. For both GaAs and InGaAs, the As dangling bonds are located near the valence band maximum. The Ga dangling bond in GaAs is found just below the conduction band-edge in correspondence of experimentally observed states, whereas its defect level is resonant with the conduction band in InGaAs.     

Al掺杂对合金Mg1-xTix及其氢化物稳定性的影响

用密度泛函理论,研究了Al对合金Mg_1-xTi_x及其氢化物稳定性和电子结构的影响. 通过计算不同掺杂浓度的Mg-Ti-Al合金的形成焓,发现当Al和Ti的浓度之比为1:1时, 合金结构最稳定,有利于氢的可逆吸收;而掺杂体系的氢化物稳定性降低, 可提高放氢性能.通过对态密度,电子密度和键长的分析, 表明Al改善Mg-Ti系统的放氢性能的原因是掺杂后减少了低能级区成键态的电子以及减弱了Mg-H, Ti-H原子间的相互作用. 关键词： 1-xTi_xH₂储氢材料')" href="#">Mg_1-xTi_xH₂储氢材料 赝势平面波 电子结构 稳定性     

Electronic States in Quantum Wells with Interface Defects

Effects of ilr terface defects on electronic states in quan tum wells (Q Ws) are investigated theoretically by introducing a coordinate transformation that transforms QWs with defective interfaces to those with planar interfaces plus an effective potential associated with interface defects. The interface defects are idealized as a cylindrical hollow protruding into the barrier materials on one of the interfaces. Electronic ground state energies are calculated variationally aa functions of the defect lateral sizes. For GaA8-Ga_1-zAl_zAs Q WS with the well width d less than 150 Å, the changes in electronic energies due to interface defects will produce sizable effects on optical experiments, such as broadenings of excitation spectra of Q We. But our calculation predicts smaller spectrum broadenings than those predicated by the previous theory for the same interface disorder.     

Optical-gap reduction in the ordered phases of GaInAs solid solution

The measured optical band gap of the (GaAs)₁(InAs)₁ (001) superlattice is smaller than that of the corresponding Ga_0.5In_0.5As random alloy. Ab-initio pseudopotential calculations show that the effect is caused by a repulsion between the lowest conduction bands, or, equivalently, by the onset of confinement of electrons to GaAs layers, and is accompanied by the decrease of the electron effective mass. Similar reductions are obtained for the indirect band gaps, and for cubic phases of GaInAs solid solution.