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。     

二维声学极化子的基态能量和有效质量

自陷电子对了解光电材料的光学性质非常重要.近些年来,形变晶格中电子自陷的问题受到研究人员的广泛关注.电子既与声学模耦合,也与光学模相互作用,但电子由自由态向自陷态的转变缘于近程的电子-声学声子耦合.研究表明:声学极化子在大多数半导体以及Ⅲ-Ⅴ族化合物,甚至碱卤化物中都不可能自陷.另一方面,电子-声子耦合在束缚结构,如二维、一维系统中,会有所增强.换言之,电子在低维结构中更容易自陷.Farias等人指出:声学极化子在二维系统中自陷的临界电子-声子耦合常数为定值,不随声子截止波矢的变化而改变.这种结论在物理上不尽合理.通过计算二维系统中的声学极化子基态能量和有效质量,讨论了二维声学极化子自陷问题.研究发现,二维声学极化子自陷转变的临界耦合常数随声子截止波矢的增加朝电子-声子耦合较弱的方向变化.这一特征与前人关于体和表面极化子研究获得的结论定性一致.所得二维声学极化子基态能量的表达式与Farias等人一致,但自陷的结果与Farias等人的结果在定性和定量上均有不同,我们认为Farias等人关于二维声学极化子自陷转变点的确定方式有不妥之处.通过改进自陷转变点的确定方式,得到了在物理上更合理的结果.     

Ab initio studies on the mechanic and magnetic properties of PdHx

Based on ab initio total energy calculations,the structural,electronic,mechanic,and magnetic properties of PdH x are investigated.It is found that bulk modulus of PdH x is larger than the metal Pd with the hydrogen storage except Pd 4 H 2.The calculated results for the magnetic moments show that the hydrogen addition weakens the magnetic properties of the PdH x systems.A strong magneto-volume effect is found in PdH x structures as well as Pd.The transition from paramagnetism to ferromagnetism is discussed.The corresponding densities of states for both structures are also shown to understand the magnetic behaviour.     

On the possibility of self-trapping transition of acoustic polarons in two dimensions

A 2D electron-longitudinal-acoustic-phonon interaction Hamiltonian is derived and used to calculate the ground-state energy of the acoustic polarons in two dimensions. The numerical results for the ground-state energy of the acoustic polarons in two and three dimensions are obtained. The 3D results agree with those obtained by using the Feynman path-integral approach. It is found that the critical coupling constant of the transition from the quasifree state to the self-trapped state in the 2D case is much smaller than in the 3D case for a given cutoff wave-vector. The theory has been used to judge the possibility of the self-trapping for several real materials. The results indicate that the self-trappings of the electrons in AlN and the holes in AlN and GaN are expected to be observed in 2D systems.     

均匀横向磁场条件下抛物量子阱结构中的共振隧穿

采用简单的数值计算方法研究了均匀横向磁场条件下通过抛物量子阱结构的共振隧穿。计算了几种GaAs-AlxGa1-xAs-GaAs抛物阱结构的透射系数。结果表明：磁场增加时，共振峰向高能区移动，新的共振峰出现；同时讨论了回旋中心在不同位置时，抛物阱结构的J-V 特性。我们发现回旋中心在抛物阱中心时更有助于解释实验，并且能够得到和实验一致的结果：磁场增加，电流峰值减少且向高偏压移动。     

Polaron Energy and Effective Mass in Parabolic Quantum Wells

The energy and effective mass of a polaron in a parabolic quantum well are studied theoretically by using LLP-like transformations and a variational approach. Numerical results are presented for the polaron energy and effective mass in the GaAs/Al0.3Ga0.7As parabolic quantum well. The results show that the energy and the effective mass of the polaron both have their maxima in the finite parabolic quantum well but decrease monotonously in the infinite parabolic quantum well with the increasing well width. It is verified that the bulk longitudinal optical phonon mode approximation is an adequate formulation for the electron-phonon coupling in parabolic quantum well structures.     

压电晶体中晶格振动对激子性质的影响

本文利用研究极性晶体中晶格振动对激子运动的影响时所采用的方法,研究了压电晶体中晶格振动对激子性质的影响,导出了压电晶体中激子的基态能量、有效质心质量和有效约化质量,以及激子中电子空穴间的有效作用势。研究结果指出:激子的自陷能和激子的有效质心质量与有效约化质量,不仅和电子-声子耦合参数、声速、德拜波数有关,而且前者还与电子、空穴质量比有关,后者与电子空穴间的相对位矢的大小和方向有关。特别值得指出的是:在压电晶体中Wanmer激子的电子空穴间的有效作用势是库伦型的,而在极性晶体中有效作用势是屏蔽型的。     

Optical vibration modes and electron－phonon interaction in ternary mixed crystals of polar semiconductors

Optical vibrations of the lattice and the electron－phonon interaction in polar ternary mixed crystals are studied in the framework of the continuum model of Born and Huang and the random-element-isodisplacement model. A normal-coordinate system to describe the optical vibration in ternary mixed crystals is correctly adopted to derive a new Fr?hlich-like Hamiltonian for the electron－phonon interaction including the unit-cell volume variation influence. The numerical results for the phonon modes, the electron－phonon coupling constants and the polaronic energies for several typical materials are obtained. It is verified that the nonlinearity of the electron－phonon coupling effects with the composition is essential and the unit-cell volume effects cannot be neglected for most ternary mixed crystals.     

有限宽度的ZnSe/ZnTe应变超晶格中LA声子的拉曼频移(英文)

考虑到真实超晶格系统的有限宽度会造成晶格的非周期性 ,我们修正了用来决定拉曼频移峰值位置的公式中的倒格矢一项。在线性驰豫应变假设下给出了应变超晶格纵向原子间距的几何模型。在上述理论基础上计算了有限宽度的ZnSe/ZnTe应变超晶格LA声子的拉曼频移。数值计算结果同现有实验结果作了比较 ,符合很好。     

论极性晶体中Wannier激子的稳定性

本文中用作者之一过去得到的极性晶体中激子的有效哈密顿量,计算了Wannier激子的基态能量,从而得出结论:只有当电子、空穴的有效质量比在一定范围时,激子相对于离解为自由电子和空穴是稳定的。 关键词：