外电场下应变量子阱中电子与空穴的本征态

考虑自发与压电极化引起的内建电场,自由电子-空穴气屏蔽效应和外加电场,基于常微分数值计算,自洽求解电子与空穴的薛定谔方程和泊松方程以获得基态能级。以典型的GaN/A lxGa1-xN纤锌矿氮化物应变量子阱为例,通过数值求解,得到电子与空穴的本征基态能和相应本征波函数。计算结果表明:沿量子阱生长方向所施加的外加电场将抵消阱中内建电场的作用,阱结构的弯曲程度略显平缓,使电子(空穴)本征波函数逆(顺)着外电场方向移动,且均向阱中心移动,波峰峰值增加,隧穿几率减小;在固定外电场情况下,电子与空穴基态能级随阱宽的增加而减小,随掺杂组分的增加而增加,表明外加电场对内建电场有所削弱以及量子限制作用对电子(空穴)基态能有显著的影响。     

极化诱导的内建电场对Mn δ掺杂的GaN/AlGaN量子阱居里温度的调制

采用传输矩阵方法分析极化诱导的内建电场对Mn δ掺杂的GaN/Al_xGa_1-xN量子阱居里温度(T_C)的调制作用.通过解薛定谔方程计算出在不同的内建电场条件下半导体量子阱局域态内的基态空穴能级和波函数分布情况，并在此基础上确定量子阱内Mn δ掺杂情况下T_C随内建电场的变化趋势，分析了不同量子阱结构引起的内建电场分布变化及其对T_C的影响.在耦合双量子阱中通过调节左右阱的不对称性可以得到T_C近3倍的增长. 关键词： GaN 量子阱 内建电场 居里温度     

V型三能级原子与双模光场相互作用的演化及Schrodinger猫态的制备

详细研究了一个V型三能级原子与双模光场的相互作用.结果表明:在原子与场的失谐量较大的情况下,基态能级可被绝热消除,从而把这一模型简化为一个等效的二能级原子与双模场相互作用的非简并Raman耦合模型,分别得出了非简并Raman耦合模型和简并Raman耦合模型系统的改进型有效哈密顿量和波函数.在此基础上通过对腔中原子进行选态测量,提出一种由具有可控权重因子和位相的相干叠加态组成的制备Schrdinger猫态的新方案.     

原子双阱势中电子波包的非绝热操控

交叉电场和磁场中的氢原子具有双阱势能结构。本文基于量子力学模拟，采用半周期脉冲（HCP）序列开展电子波包的非绝热操控。详细研究了HCP的电场幅度、数量和时间间隔对电子波包的空间和能量分布的影响，实现了将初始电子波包非绝热转移到远离库伦中心的外势阱中的低能态，这些低能态较为稳定且显示出很大的电偶极矩。相比光激发和绝热操控，本文的方法更为快速、高效，可以应用于更为复杂的外场或分子体系。     

在多能级∧系统中运用“部分受激拉曼绝热通道”制备相干叠加态(英文)

我们给出了在A型五能级系统中制备| 3态和| 5态的连续叠加态的方法,这种方法是部分受激拉曼绝热通道的扩充。但是它又不同于部分受激拉曼绝热通道,我们设计了新的斯托克斯脉冲和相应的泵浦脉冲。进而应用数值方法讨论了脉冲驰豫时间和失谐量对该方法的影响.数值结果表明要制备任意的叠加态要满足双光子共振.这种方法可以推广到多能级A系统中制备任意两个下面能级的叠加态.     

He-LiH体系束缚态能级的理论计算

在CCSD(T) 势能面的基础上,采用严格的量子力学方法计算得到了He-LiH体系束缚态振转能级和波函数,结果表明该体系存在10个振转束缚态.从波函数的分布图中可以知道,与J=0的第一个能级对应的本征态是靠近Li端较深势阱的一个束缚态;第二个能级为伸展激发振动能级;基本上存在于深势阱内,但H端的浅势阱通过隧道效应,对该能级的几率分布产生了影响.     

Paul阱中两个Bi+共线的能量本征态性质

通过对Paul阱中共线两Bi 形成的系统波函数、能谱和相对距离的平均值的精确计算,计算得到的频率、能量是目前的离子阱实验能达到的值;并且对共线两个Bi 的相对几率分布和系统能量本征态进行分析.     

V型三能级原子与双模光场相互作用的演化及Schroedinger猫态的制备

详细研究了一个V型三能级原子与双模光场的相互作用，结果表明，在原子与场的失谐量较大的情况下，基态能级可被绝热消除，从而把这一模型简化为一个等效的二能级原子与双模场相互作用的非简并Raman耦合模型，分别得出了非简并Raman耦合模型和简并Raman耦合模型系统的改进型有效哈密顿量和波函数。在此基础上通过对腔中原子进行选态测量，提出一种由具有可控权重因子和位相的相干叠加态组成的制备Schroedinger猫态的新方案。     

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：     

圆柱形人造原子的能级结构及电子几率密度分布

通过求解定态薛定格方程得到了园柱形人造原子的能级结构,进而求出了电子几率密度的分布。计算结果表明,电子被束缚在园柱内的条件与位阱深度Ｖ０及园柱的园柱的结构参数有关。当园柱的高ｈ＝４．００ｎｍ,半径α＝２．７５ｎｍ时,要求Ｖ０≥４．７４ｍｅＶ。在ｚ－轴方向上的电子几率密度分布是以ｈ／２为对称中心周期震荡,并且柱体内外的电子几率的大小是可比较的;而在ｘ－ｙ平面上的电子几率密度分布类似于氢原子,并且柱外     

Axially symmetrical molecules in electric and magnetic fields: energy spectrum and selection rules

In this paper we investigate the effects of external electric and magnetic fields on a three-dimensional harmonic oscillator with axial symmetry. The energy spectrum of such a system is non-degenerate due to the presence of the magnetic field. The degeneracy of the energy spectrum in the absence of a magnetic field is discussed. The influence of electric and magnetic fields, as well as the frequencies of the oscillator on the probability distribution function is analyzed. Optical transition probabilities are examined by deriving the selection rules in dipole approximation for the quantum numbers n _p , m _l and n _z . Employing stationary perturbation theory, the effects of deformations of the potential energy function on the oscillatory states are analyzed. Such models have been used in literature in analysis of spectra of axially symmetrical molecules and cylindrical quantum dots.     

Photoionization microscopy of Rydberg hydrogen atom in a non-uniform electrical field

In this paper,we investigate the photoionization microscopy of the Rydberg hydrogen atom in a gradient electric field for the first time.The observed oscillatory patterns in the photoionization microscopy are explained within the framework of the semiclassical theory,which can be considered as a manifestation of interference between various electron trajectories arriving at a given point on the detector plane.In contrast with the photoionization microscopy in the uniform electric field,the trajectories of the ionized electron in the gradient electric field will become chaotic.An infinite set of different electron trajectories can arrive at a given point on the detector plane,which makes the interference pattern of the electron probability density distribution extremely complicated.Our calculation results suggest that the oscillatory pattern in the electron probability density distribution depends sensitively on the electric field gradient,the scaled energy and the position of the detector plane.Through our research,we predict that the interference pattern in the electron probability density distribution can be observed in an actual photoionization microscopy experiment once the external electric field strength and the position of the electron detector plane are reasonable.This study provides some references for the future experimental research on the photoionization microscopy of the Rydberg atom in the non-uniform external fields.     

外电场下TCNQ的激发与光谱性质研究

采用密度泛函B3PLY方法优化了不同外电场下TCNQ分子的基态稳定构型、电偶极矩和分子的总能量，并且分析了TCNQ分子的HOMO-2到LUMO+2轨道的能量变化。然后利用杂化CIS-DFT方法在同样的基组下计算了外电场下TCNQ分子的前9个激发态的激发能、波长和振子强度，结果表明在没有外电场的情况下，TCNQ分子只有一个激发态能够激发，从基态跃迁到第1激发态。在有外电场的作用下，总能量随外电场的增加而逐渐减少，偶极矩随外电场的增加而不断增加。其前线轨道的能量也随外电场的增加不断减少，轨道分布也受外电场很大的影响。另外，外电场对TCNQ分子的激发波长也产生了一定影响。     

外电场下TCNQ的激发与光谱性质研究

采用密度泛函B3PLY方法优化了不同外电场下TCNQ分子的基态稳定构型、电偶极矩和分子的总能量,并且分析了TCNQ分子的HOMO-2到LUMO+2轨道的能量变化。然后利用杂化CIS-DFT方法在同样的基组下计算了外电场下TCNQ分子的前9个激发态的激发能、波长和振子强度,结果表明在没有外电场的情况下,TCNQ分子只有一个激发态能够激发,从基态跃迁到第1激发态。在有外电场的作用下,总能量随外电场的增加而逐渐减少,偶极矩随外电场的增加而不断增加。其前线轨道的能量也随外电场的增加不断减少,轨道分布也受外电场很大的影响。另外,外电场对TCNQ分子的激发波长也产生了一定影响。     

Excitonic optical absorption in wurtzite InGaN/GaN quantum wells

Within the framework of the effective-mass and envelope function theory, exciton states and optical properties in wurtzite (WZ) InGaN/GaN quantum wells (QWs) are investigated theoretically considering the built-in electric field effects. Numerical results show that the built-in electric field, well width and in composition have obvious influences on exciton states and optical properties in WZ InGaN/GaN QWs. The built-in electric field caused by polarizations leads to a remarkable reduction of the ground-state exciton binding energy, the interband transition energy and the integrated absorption probability in WZ InGaN/GaN QWs with any well width and In composition. In particular, the integrated absorption probability is zero in WZ InGaN/GaN QWs with any In composition and well width L > 4 nm. In addition, the competition effects between quantum confinement and the built-in electric field (between quantum size and the built-in electric field) on exciton states and optical properties have also been investigated.     

Electronic properties of telescoping carbon nanotubes under external fields

In this work, we use the tight-binding model to study the low-energy electronic properties of telescoping double-walled carbon nanotubes subject to the influences of a transverse electric field and a parallel magnetic field. The state energy and energy spacings are found to oscillate significantly with the overlapping length. External fields would modify the state energies, alter the energy gaps, and destroy the state degeneracy. Complete energy gap modulations can be accomplished either by varying the overlapping length, or by applying an electric field or a magnetic field. The variations of state energies with the external fields will be directly reflected in the density of states. The numbers, heights, and frequencies of the density of states peaks are strongly dependent on the external fields.     

Towards a test of string theory using Rydberg atoms

The current controversy over the need for an experimental test of String Theory is considered. We report recent experiments on quasi-bound electrons in crossed electric and magnetic fields, in which states of very large electric dipole moment are excited. The excited electron is confined to one side of the atomic nucleus in the outer well of a controllable double-well potential. These states are discussed in relation to a recent theoretical proposal to test the spatial non-commutativity underpinning String Theory by studying Penning orbits of Rydberg atoms in crossed electric and magnetic fields.     

氯乙烯在外电场下的激发态结构研究

采用密度泛函B3P86方法在6-311G基组上优化了不同外电场作用下氯乙烯分子的基态几何结构、电偶极矩和分子的总能量,然后利用杂化CIS-DFT方法(CIS-B3P86)在相同基组下探讨了无电场时氯乙烯分子前9个激发态的激发能、波长和振子强度和外电场对氯乙烯分子激发态的影响规律.结果表明,分子的几何构型与外电场大小有着强烈的依赖关系.随着外电场的增大,分子总能量先增大后减小,电偶极矩μ先减小后增大.激发能随电场增加快速减小,表明在外电场作用下,氯乙烯分子易于激发和离解.激发态波长随电场的增大而不断增大,且其电子跃迁光谱都集中在紫外区.     

Laser effects on the donor states in V-shaped and inverse V-shaped quantum wells

Laser effects on the electronic states in GaAs/ Ga_1−xAl_xAs V-shaped and inverse V-shaped quantum wells under a static electric field are studied using the transfer matrix method. The dependence of the donor binding energy on the laser field strength and the density of states associated with the impurity is also calculated. It is demonstrated that in inverse V-shaped quantum wells under electric fields, with an asymmetric distribution of the electron density, the position of the binding energy maximum versus the impurity location in the structure can be adjusted by the intensity of the laser field. This effect could be used to tune the electronic levels in quantum wells operating under electric and laser fields without modifying the physical size of the structures.