极性晶体内表面电子的量子像势及其极化子的有效势

本文从与真空接触的存在二支声子的半无限极性晶体表面附近极化子的哈密顿算符入手，应用二支模型理论，分别对GaAs和ZnO两种材料计算了内表面电子的量子像势及其极化子的有效势。计算结果表明：当Z很小时，经典像势和半经典有效势分别与量子像势和量子有效势相差较大；当Z很大时，经典像势和半经典有效势分别是量子像势和量子有效势的一个很好的近似。     

磁场中强耦合表面极化子的性质

本文研究磁场中强耦合表面极化子的性质,采用线性组合算符法导出表面极化子的基态能量和振动频率.对AgCl和KCl晶体进行了数值计算.结果表明,磁场中强耦合表面极化子的振动频率随磁场的增加而增大,基态能量随磁场的增加而减少.     

多原子半无限晶体中表面极化子的内部激发态

研究多原子半无限晶体中电子与表面光学(SO)声子耦合强,而与体纵光学(LO)声子耦合弱的极化子的激发态性质.采用线性组合算符和幺正变换方法导出与SO声子耦合强而与LO声子耦合弱情形下极化子的基态能量、第一内部激发态能量和激发能量.结果表明,多原子半无限晶体中与SO声子耦合强,而与LO声子耦合弱的极化子的基态能量、第一内部激发态能量不仅包含不同支LO声子和不同支SO声子与电子耦合的能量,而且也包含不同支SO声子之间相互作用贡献的附加能量.激发能量与体纵光学声子无关.     

Xe原子吸附对GaAs(110)表面重构的影响

基于第一性原理的自洽场密度泛函理论(DFT)和广义梯度近似(GGA),利用缀加平面波加局域轨道(APW+lo)近似方法，建立了五层层晶超原胞模型，模拟了GaAs(110)表面结构和单个Xe原子在其表面的吸附.利用牛顿动力学方法，对GaAs(110)表面原子构形的弛豫和Xe原子在GaAs(110)表面的吸附进行了计算.从三种不同的初始构形出发，即Xe原子分别在Ga原子的顶位，As原子的顶位以及桥位，都发现Xe原子位于桥位时体系能量最低.由此，认为Xe原子在GaAs(110)表面的吸附位置在桥位，并且发现吸附Xe原子后GaAs(110)表面有趋向于理想表面的趋势，表面重构现象趋于消失，表面原子间键长有一定的恢复,这与理论预言相符合. 关键词： 密度泛函理论 表面结构 APW 表面原子吸附     

表面磁极化子的光学声子平均数

采用Tokuda改进的线性组合算符、Lagrange乘子和变分法,讨论了强、弱耦合表面磁极化子的性质。计算了极化子的基态能量和光学声子平均数。以AgCl和ZnS晶体为例进行了数值计算。讨论了表面磁极化子振 动频率、基态能量和光学声子平均数与磁场B和拉格朗日乘子u的关系。     

多原子半无限晶体中极化子的激发能量

研究多原子半无限晶体中电子与表面光学SO声子和体纵光学LO声子强耦合的极化子的激发态的性质。采用线性组合算符和幺正变换方法导出强耦合情形下极化子的基态能量、第一内部激发态能量和激发能量。结果表明,多原子半无限晶体中强耦合极化子的基态能量、第一内部激发态能量和激发能量不仅包含不同支LO声子和不同支SO声子与电子耦合的能量,而且还包含不同支LO声子之间和不同支SO声子之间相互作用贡献的附加能量。     

氮化物抛物量子阱中磁极化子的能量

利用改进的Lee-Low-Pines(LLP)方法和变分法研究了在外磁场作用下氮化物无限抛物量子阱中自由极化子的能级,得到了极化子基态能量随量子阱阱宽和外磁场变化的规律,对GaN/Al_0.3Ga_0.7N抛物量子阱进行了数值计算.结果表明:外磁场对极化子的能量有明显的影响,极化子基态能量随阱宽的增强而减小,随磁场的增强而增大,并且电子-声子相互作用对氮化物量子阱中极化子能量的贡献是很大的.     

二维极化子在磁场中的基态能量

谐振子算符的代数运算方法被用于研究磁场中同时与表面光学声子及表面声学声子相互作用的二维电子。得到二维极化子在强磁场中直至四级微扰的基态能量以及它在任意强经磁场中的二级微扰基态能量表达式。结果发现,对磁场中二维极化子基态能量的影响中,表面声学声子有着与表面光学声子同样的甚至更为突出的贡献,是不容忽视的。 关键词：     

强耦合表面极化子的激发能量

采用线性组合算符方法及幺正变换方法研究了电子与表面光学(SO)声子和体纵光学(LO)声子均为强耦合的表面极化子的激发态性质.计算了体系的有效哈密顿量、振动频率和体系由基态向第一激发态跃迁所需的激发能量.     

纤锌矿MgxZn1-xO/Mg0.3Zn0.7O抛物量子阱中极化子能级

采用改进的Lee-Low-Pines(LLP)中间耦合方法研究纤锌矿Mg x Zn1-x O/Mg0.3Zn0.7O抛物量子阱材料中的极化子能级,给出极化子基态能量、跃迁能量(第一激发态到基态)和不同支长波光学声子对电子态能级的贡献随量子阱宽度d的变化规律。理论计算中考虑了纤锌矿Mg x Zn1-x O/Mg0.3Zn0.7O抛物量子阱材料中声子模的各向异性和介电常数、声子(类LO和类TO)频率等随空间坐标Z变化(SD)效应对极化子能量的影响。结果表明,Mg x Zn1-x O/Mg0.3Zn0.7O抛物量子阱中电子与长波光学声子相互作用对极化子能级的移动很大,使得极化子能量明显降低。阱宽较小时,半空间长波光学声子对极化子能量的贡献较大,而定域长波光学声子的贡献较小;阱宽较大时,情况则正好相反。在d的变化范围内,电子与长波光学声子相互作用对极化子能级的移动(约67~79 meV)比Al x Ga1-x As/Al0.3Ga0.7As抛物量子阱中的相应值(约1.8~3.2 meV)大得多。因此,讨论ZnO基量子阱中电子态问题时要考虑电子与长波光学声子的相互作用。     

温度对ZnO/Al2O3(0001)界面的吸附、扩散及生长初期模式的影响

构建了一个ZnO沉积在α-Al₂O₃(0001)表面生长初期的模型，采用基于密度泛函理论的平面波超软赝势法进行了动力学模拟.发现在400，600和800℃的条件下界面原子有不同的扩散能力，因此温度对ZnO/α-Al₂O₃(0001)表面界面结构以及ZnO薄膜生长初期模式有决定性的影响.在整个ZnO吸附生长过程中，O原子的扩散系数大于Zn原子的扩散系数，O原子的层间扩散对薄膜的均匀生长起着重要作用.进一步从理论计算上证实了ZnO在蓝宝石(0001)上两种生长模式的存在，400℃左右生长模式主要是Zn螺旋扭曲生长，具有Zn六角平面对称特征，且有利于Zn原子位于最外表面.600℃左右呈现为比较规则的层状生长，且有利于O原子位于最外表面.模拟观察到在ZnO薄膜临近Al₂O₃基片表面处，Zn的空位缺陷明显多于O的空位缺陷. 关键词： 扩散 薄膜生长 2O₃(0001)')" href="#">α-Al₂O₃(0001) ZnO     

磁控溅射制备ZnO薄膜及其声表面波特性

通过射频磁控溅射技术在GaAs，Au/GaAs，Si和玻璃基片上成功制备了ZnO多晶薄膜，利用X射线衍射对ZnO薄膜的取向、结晶性进行了表征，结果表明ZnO薄膜呈完全c轴取向，Au缓冲层可以有效地改善ZnO薄膜的晶体质量，X射线摇摆曲线结果表明ZnO(002)衍射峰的半高宽仅为2.41°，同时发现Au缓冲层的结晶质量对ZnO薄膜的c轴取向度有很大影响，通过扫描电子显微镜对ZnO/GaAs和ZnO/Au/GaAs薄膜的表面形貌进行了观测，利用网络分析仪对IDT/ZnO/GaAs薄膜的声表面波特性进行了测量. 关键词： ZnO薄膜 X射线衍射 声表面波     

Polar Oscillation of Interface and Surface Optical Phonons in Free-Standing Cylindrical Quantum-Well Wires

Under dielectric continuum approximation, interface optical (IO) and surface optical (SO) phonon modes as well as the corresponding Fro^ehlich electron-phonon interaction Hamiltonian in a free-standing cylindrical quantum-well wire (QWW) are derived and studied. Numerical calculations on GaAs/AlzGa1-x As cylindrical QWW are performed. Results reveal that there are two branches of IO phonon modes and one branch of SO phonon mode, and the dispersion frequencies of IO or SO phonon modes sensitively depend on the Al mole fraction x in AlzGa1-x As material and the wavevector in z direction, kz. With the increasing of kz and quantum number m, the frequency of each IO mode approaches one of the two frequency values of the single GaAs/AlxGa1-x As heterostructure, and the electrostatic potential distribution of the phonon mode tends to be more and more localized at a certain interface or surface, meanwhile, the coupling between the electron-IO and -SO phonons becomes weaker.     

Theory of resonant magneto-polaron in GaAs-GaAlAs heterostructure

Energies of resonant polarons related to interaction of inversion electrons in GaAs with optic phonons in the presence of a magnetic field are calculated and compared with recent cyclotron resonance measurements on a GaAs-GaAlAs heterostructure. The nonparabolocity of the conduction band is accounted for in the triangular potential approximation. The screening of polar interaction is neglected. Using an intensity of the confining electric field as a fitting parameter a very good agreement between the theory and the experiment is obtained.     

The polarons and their dead layers in semi-infinite polar crystals

The united effective Hamiltonian for both the bulk and the surface polarons in semi-infinite polar crystal is deri$\text{v}$ ed, taking account of the effects from the bulk, the surface optical phonons and the repulsive image potential from the surface. The properties of polarons are discussed. The numerical evaluations for the effective potential suggest that there is a “dead layer” of polarons in polar crystal.     

An application of half-terrace model to surface ripening of non-bulk GaAs layers

In order to predict the actual quantity of non-bulk GaAs layers after long-time homoepitaxy on GaAs （001） by theo- retical calculation, a half-terrace diffusion model based on thermodynamics is used to calculate the ripening time of GaAs layers to form a fiat morphology in annealing. To verify the accuracy of the calculation, real space scanning tunneling microscopy images of GaAs surface after different annealing times are obtained and the roughness of the GaAs surface is measured. The results suggest that the half terrace model is an accurate method with a relative error of about 4.1%.     

Interface polarons in a heterojunction with triangular bending-band

The interface polaron states in a heterojunction are discussed by considering an energy-band bending near the interface and the influence of an image potential. The ground state energy and the effective mass of a polaron are variationally calculated. The numerical results for the GaAs/ heterojunction are given. It is shown that even though the influences from bulk longitudinal optical (LO) phonons are more important for the heterojunctions with lower Al composition, the contributions from two branches of interface optical (IO) phonons are not negligible. For the heterojunctions with higher Al composition, both the influences from LO phonons and two branches of IO phonons are important. The band-bending plays an important role for the interface localization of polarons, but the influence of the image potential is not essential. Received: 4 November 1997 / Revised and Accepted: 9 March 1998     

折射率调制脉冲射线探测技术原理验证

为验证折射率调制的脉冲射线束探测技术,建立了原理验证系统。该系统基于平行平板干涉原理,测量传感介质的折射率在射线激发下的瞬时变化。传感介质为GaAs,探针光为1310nm单模激光,外界激发射线源平均能量为300keV,脉宽为20ns。使用带宽775kHz的近红外InGaAs光电探测器,观测到了GaAs晶体在脉冲射线激发下的折射率变化。初步理论分析表明,射线脉冲在GaAs中产生的非平衡载流子浓度为1014 cm-3量级,折射率变化为10-6量级。折射率变化的实验结果与理论计算在量级上是符合的。实验结果表明,基于折射率调制的脉冲射线束探测技术基本可行,利用该系统可进一步发展高时间分辨的脉冲射线束探测技术。     

Identification of zone boundary and interface phonon recombinations in photoluminescence from type-II GaAs/AlAs short-period superlattices

We present the first identification of the direct participation of the GaAs interface (IF) mode in the phonon-assisted recombinations from type-II GaAs/AlAs short-period superlattices (SPSL). This is achieved by utilizing a novel first-order resonant Raman process associated with the type-II X_z–Γ band gap to enable a direct comparison, in the same sample, of zone boundary phonons with the photoluminescence (PL) phonon satellite energies. We present PL measurements on two complementary SPSLs to identify the reversal in the parity of the GaAs IF branch, where coupling is only allowed to the IF(+) branch. We also identify weak satellites, not previously reported, between the IF(+) and LA(X) satellites.     

Phonon dispersion in quasiperiodic semiconductor superlattices

The phonon spectra of unstrained and strained quasiperiodic semiconductor superlattices (QSSL) have been calculated using one-dimensional linear chain model. We consider two types of quasiperiodic systems, namely cantor triadic bar (CTB) and Fibonacci sequences (FS), constituting of AlAs, GaAs and GaSb of which the latter two have a lattice mismatch of about 7%. The calculations have been made using transfer matrix method and also with and without the inclusion of strain. We present the results on phonon spectra of two component CTB and two as well as three component FS semiconductor superlattices (SSL), thickness and order dependence on LO mode of GaAs, effect of strain on LO frequency of GaAs. The calculated results show that the strain generated due to lattice mismatch reduces significantly the magnitudes of the confined optical phonon frequency of GaAs.