用MCH方法研究库仑屏蔽势的高角动量能谱

以库仑屏蔽势为模型,用蒙特卡罗哈密顿方法对库仑屏蔽势束缚态进行研究,并把结果和传统的数值解一维薛定谔方程的方法相比较,在基态或激发态,都得出相一致的结果.     

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.     

Multiphoton ionization of the hydrogen atom by a circularly polarized electromagnetic field

This paper examines the multiphoton ionization of the ground state of the hydrogen atom in the field of a circularly polarized intense electromagnetic wave. To describe the states of photoelectrons, quasiclassical wave functions are introduced that partially allow for the effect of an intense electromagnetic wave and that of the Coulomb potential. Expressions are derived for the angular and energy distributions of photoelectrons with energies much lower than the ionization potential of an unperturbed atom. It is found that, due to allowance for the Coulomb potential in the wave function of the final electron states, the transition probability near the ionization threshold tends to a finite value. In addition, the well-known selection rules for multiphoton transitions in a circularly polarized electromagnetic field are derived in a natural way. Finally, the results are compared with those obtained in the Keldysh-Faisal-Reiss approximation. Zh. éksp. Teor. Fiz. 116, 807–820 (September 1999)     

keV量级光子的线辐射源

在天体空间或实验室的等离子体中可能存在能量为若干keV量级的光子的线辐射,它们源于一种新的原子核物质结构形态(核核两体的松聚合)形成之时.对两个原子核组成的体系,采用库仑势垒与核力方势阱相组合的作用势,求解核核两体的定态薛定谔方程,得到了两体松束缚态的波函数和可能的能量本征量(核的长程库仑能的数量级)并说明了这种松束缚态的存在条件.对某些轻核,基态的结合能为若干keV.     

抛物量子阱中束缚极化子的极化势和结合能

利用改进的Lee-Low-Pines(LLP)方法,用变分法计算了无限深抛物量子阱中同时考虑与体纵光学声子和界面纵光学声子相互作用的束缚极化子的极化势和结合能.数值计算得出:阱宽较大时极化势很小,阱宽较小时极化势较大,所以对于较窄的抛物阱必须考虑极化势.对于给定阱宽的抛物阱,随着远离阱中心极化势迅速减小,当到达阱的界面附近极化势又开始增大.阱宽较小时,束缚极化子的结合能随着阱宽L的增大而急剧减小;阱宽较大时,结合能减小的非常缓慢,最后接近体材料中的三维值.     

原子轨道强耦合方法研究He2+-H-碰撞的电荷转移过程

应用双中心原子轨道强耦合方法研究He²⁺-H^-碰撞的单次电荷转移过程.计算中,对入射粒子He²⁺,包含n=1~7的所有束缚态,计算的能量本征值与NIST标准数据在百分之几的精度内符合很好;对靶H^-,包括一个束缚态1s和五个连续态ns(n=2~6),束缚态能量与他人理论结果一致.在4~400 keV的入射粒子能量范围,计算单电子俘获过程的总截面及到各个壳层上的态选择截面.发现在较低的入射粒子能量,电子主要俘获到He⁺离子主量子数n=3~5的壳层,高能区俘获到n=2的壳层为主;对同一主量子数n,在低能区俘获到高角动量态(l=n-1,n-2)的电荷转移截面相对较大,在高能区主要俘获到l=1的p壳层.同时还计算入射粒子能量分别为4 keV和400 keV时,电子俘获到激发态辐射退激发产生的电荷转移发射光谱,并发现cascade效应的影响很大.     

抛物量子点中强耦合束缚极化子的性质

采用Pekar类型的变分方法研究了抛物量子点中强耦合束缚极化子的基态和激发态的性质。计算了束缚极化子的基态和激发态的能量、光学声子平均数。讨论了量子点的有效束缚强度和库仑束缚势对基态能量、激发态能量以及光学声子平均数的影响。数值计算结果表明:量子点中强耦合束缚极化子的基态和激发态能量及光学声子平均数均随量子点的有效束缚强度的增加而减小,基态、激发态能量随库仑束缚势的增加而减小,光学声子平均数随库仑束缚势的增加而增大。     

Non-threshold (F, Dp) bound states

In the previous paper [hep-th/9904112], we argued that there exist BPS bound states of Dp branes carrying certain units of quantized constant electric field for every p (with 1 p 8). Each of these bound states preserves one half of the spacetime supersymmetries. In this paper, we construct these bound state configurations explicitly for 2 p 7 from Schwarz's (m, n)-string or (F, D1) bound state in type IIB string theory by T-dualities along the transverse directions. We calculate the charge per of (p − 1)-dimensional area for F-strings in (F,Dp) and the tension for each of these bound states. The results agree precisely with those obtained previously from the worldvolume study. We study the decoupling limit for the (F, D3) bound state and find that Maldacena's AdS₅/CFT₄ correspondence may hold true even with respect to this bound state but now with an effective string coupling rather than the usual string coupling. This coupling is quantized and can be independent of the usual string coupling in a certain limit.     

镓原子的Stark能级结构

里德堡原子的Stark效应在偶极偶极相互作用、量子信息和量子调控等方面具有潜在的应用前景. 本文首先根据零场时镓原子的能级数据, 通过非线性拟合方法获得了镓原子各态的量子亏损, 仔细分析了量子亏损随主量子数的变化特征; 然后利用Numerov算法计算了镓原子的径向波函数; 最后采用矩阵对角化方法, 数值计算了镓原子高里德堡态在场强范围F=0-3000 V·cm^{- 1}时n=7和n=18附近的Stark能级结构. 结果显示在主量子数n=7多重态以上的能级结构中, (n+1)P态的能级接近并大于nD态的能级, 在n=7多重态以下的能级结构中, (n+1)P态的能级接近并小于nD态的能级. 这一现象不同于通常的碱金属原子的Stark结构, 论文对该现象及其他Stark能级结构特征进行了详细分析, 为相关研究工作提供了重要参考价值.     

磁场中束缚极化子的有效质量

研究磁场中束缚极化子有效质量的性质,采用改进的线性组合算符和变分法讨论了磁场中强、弱耦合极化子的振动频率和有效质量与磁场B和库仑势的关系。以RbCl晶体为例进行了数值计算,结果表明:强耦合束缚磁极化子的振动频率λ和有效质量m^*随磁场B的增加而增大。弱耦合磁极化子的振动频率λ也随磁场的增加而增加,并且发现由于库仑势的存在,使得强耦合束缚磁极化子的振动频率λ和有效质量m^*有所增大。弱耦合磁极化子的有效质量仅和耦合强度α有关。     

库仑势加新环形势的相对论束缚态

在标量势等于矢量势的条件下，获得了库仑势加新环形势的Klein-Gordon方程和Dirac方程的束缚态的精确解. 对于Klein-Gordon方程，获得了精确的能谱方程和归一化的波函数. 对于Dirac方程，给出了精确的能谱方程和归一化的旋量波函数. 关键词： 库仑势加新环形势 束缚态 精确解     

Relativistic symmetries with the trigonometric Pschl-Teller potential plus Coulomb-like tensor interaction

The Dirac equation is solved to obtain its approximate bound states for a spin-1/2 particle in the presence of trigonometric Pschl-Teller(tPT) potential including a Coulomb-like tensor interaction with arbitrary spin-orbit quantum number κ using an approximation scheme to substitute the centrifugal terms κ(κ± 1)r-2.In view of spin and pseudo-spin(p-spin) symmetries,the relativistic energy eigenvalues and the corresponding two-component wave functions of a particle moving in the field of attractive and repulsive tPT potentials are obtained using the asymptotic iteration method(AIM).We present numerical results in the absence and presence of tensor coupling A and for various values of spin and p-spin constants and quantum numbers n and κ.The non-relativistic limit is also obtained.     

Effects of the second and third neighbor hopping interactions on the electronic states of soliton in polyacetylene

We have studied the energy spectra and the electronic states of a soliton in the weakly coupled electron-phonon systems using an extension of SSH model that includes non-nearest neighbor hopping interactions. The results show that: (1) the electron-hole symmetry of the energy band structure implied by SSH model is broken, and the energy gap 2 increases. (2) for a negative charged soliton, only two bound states have been found, one of them is the midgap state, another is a new shallow state near the bottom of the conduction band; for a neutral soliton, all three bound states exist as in the SSH model, but their localizations are strengthened; for a positive charged soliton, four bound states have been found, one of which is an additional state near the top of the conduction band.     

Interface-induced states at the boundary between a 3D topological insulator and a normal insulator

We show that, when a three-dimensional (3D) narrow-gap semiconductor with inverted band gap (“topological insulator,” TI) is attached to a 3D wide-gap semiconductor with non-inverted band gap (“normal insulator,” NI), two types of bound electron states having different spatial distributions and spin textures arise at the TI/NI interface. Namely, the gapless (“topological”) bound state can be accompanied by the emergence of the gapped (“ordinary”) bound state. We describe these states in the framework of the envelope function method using a variational approach for the energy functional; their existence hinges on the ambivalent character of the constraint for the envelope functions that correspond to the “open” or “natural” boundary conditions at the interface. The properties of the ordinary state strongly depend on the effective interface potential, while the topological state is insensitive to the interface potential variation.     

B$lt;sub$gt;$lt;i$gt;n$lt;/i$gt;$lt;/sub$gt;Y($lt;i$gt;n$lt;/i$gt;=1–11)团簇的结构和电子性质

利用密度泛函理论TPSSh方法对B采用6-311+G(d), 对Y采用Lanl2dz相对论有效势基组, 研究了B_nY (n=1–11)团簇的平均结合能、二阶能量差分、最高分子占据轨道和最低空轨道之间的能级间隙、极化率和第一静态超极化率等物理化学性质. 结果表明, 随着尺寸的增大, B_nY (n=1–11)团簇的最低能量结构从平面逐步演变为立体结构. 随硼原子数n的增加, 团簇的平均结合能表明了较好的热力学稳定性, 有利于Y掺杂B团簇形成较大的块体材料.二阶能量差分表明基态B₃Y, B₅Y和B₇Y团簇较相邻团簇稳定. 能隙表明了基态B₃Y, B₅Y, B₇Y和B₉Y的化学稳定性较高. 综合说明B_nY (n=1–11)硼团簇中, 基态B₃Y, B₅Y和B₇Y具有较好的稳定性. 极化率表明基态B_nY团簇的电子结构随B原子的增加趋于紧凑, 第一静态超极化率表明基态B₅Y, B₄Y, B₃Y和B₆Y平面结构的团簇具有明显的非线性光学性质, 为寻找性能优异的非线性光学材料提供了一定的参考. 关键词： 密度泛函TPSSh方法 nY (n=1–')" href="#">B_nY (n=1– 11)团簇 几何结构 电子性质     

点缺陷对单层MoS2电子结构及光学性质的影响研究

采用基于第一性原理的贋势平面波方法,对不同类型点缺陷单层MoS2电子结构、能带结构、态密度和光学性质进行计算。计算结果表明：单层MoS2属于直接带隙半导体,禁带宽度为1.749ev,V-Mo缺陷的存在使得MoS2转化为间接带隙Eg=0.671eV的p型半导体,V-S缺陷MoS2的带隙变窄为Eg=0.974eV,S-Mo缺陷的存在使得MoS2转化为间接带隙Eg=0.482eV; Mo-S缺陷形成Eg=0.969eV直接带隙半导体,费米能级上移靠近价带。 费米能级附近的电子态密度主要由Mo的4d态和s的3p态电子贡献。光学性质计算表明：空位缺陷对MoS2的光学性质影响最为显著,可以增大MoS2的静态介电常数、折射率n0和反射率,降低吸收系数和能量损失。     

Theory of magnetic impurities in superconductors. III

The structure of the bound states in superconductors with magnetic impurities is investigated in detail following earlier work. It is shown that there is exactly one bound state per magnetic impurity with a wave function which decays exponentially on a characteristic scale. However, there is no accumulation of charge around the impurity as the bound state charge distribution is compensated by the contribution from band states apart from Ruderman-Kittel oscillations.     

Na掺杂反式聚乙炔中的孤子晶格的能谱与电子束缚态

从离散的ＳＳＨ模型出发，考虑了链内的电子相互作用，以及由杂质和周围链上的荷电孤子产生的库仑势的影响，探讨了各种掺杂浓度的反式聚乙炔中孤子晶格的能谱与电子束缚态。计算结果表明：在孤子晶格的能谱中，在价带底有两条定域能级，在导带顶存在着多个电子束缚态，随掺杂浓度的升高，束缚态的局域性减弱，禁带中的孤子能级形成孤子能带。当掺杂浓度高达１６．６７％时，所有的电子束缚态都消失，转变为扩展态。孤子晶格的禁带宽度随着掺杂浓度的增加而增大，最高占据态与导带底之间的能隙则随之逐渐减小。孤子能带底与价带顶之间的能隙在临界浓度附近有一极大值。还讨论了电子－电子相互作用对孤子晶格能谱的影响。 关键词：     

有限深抛物势量子环类氢杂质能级

在有效质量近似下,用微扰法研究InAs量子环内类氢杂质基态及低激发态的能级.受限势采用有限深抛物型势,在二维平面极坐标下,用薛定谔方程的解析解计算.数值结果显示:在抛物势平台区,类氢杂质能级不随电子径向坐标改变,并具有二维氢原子能级的特征;在有限深抛物势区,电子能级敏感地依赖于量子环半径,能级存在极小值,这是由于限制势采用抛物势的结果.如果减小环的半径,可以增加能级间距;简并能级发生分裂并且间距随半径增大而增大,第一激发态的简并没有消除,第二激发态的简并被部分地消除.本文结果对研究量子环的光跃迁及光谱结构有指导意义.