EFFECTS OF THE HUBBARD INTERACTIONS AND ELECTROSTATIC PINNING ON THE 2D LOCALIZED MODES OF TRANS-(CH)x AROUND A SOLITON

The electron-lattice coupling vibrational modes are calculated using a two-dimensional ex-tension of the Su-Schrieffet-Heeger model that includes the bond-bending term, the electron-electron interactions and the electrostatic pianing for doped samples, The result shows that all ten localized modes exist after turning on the e-e interactions and doped pinning effects, but their localizations has been strengthened and the frequencies have been moved slightly.     

次近邻电子跳跃对孤子的电子束缚态和孤子附近局域模的影响

从SSH模型出发,考虑电子次近邻跳跃的影响,研究了聚乙炔中孤子的电子束缚态和孤子附近的局域振动模。结果发现:1.电子能谱中的电子-空穴对称性消失;2.孤子的电子束缚态的数目和位置发生了变化,且与孤子的类型有关;3.孤子附近出现了一个新的局域振动模G₆;4.次近邻电子跳跃改变了局域模的频率,增强了局域模的局域性。 关键词：     

聚乙炔孤子的二维局域振动模及其键弯曲势的影响

本文考虑了反式聚乙炔的平面结构,在二维空间内研究了孤子的局域振动模,并在此基础上讨论了键弯曲势对孤子局域模的影响,结果发现:1)晶格在垂链方向的振幅与链向的可比拟;2)当耦合参数λ取定值时,产生新的局域模(与SSH模型比较),且局域模的数目随着键弯曲势参数K的增加而增多,其局域性也随之增强。 关键词：     

EFFECTS OF THE SOLITON CONFIGURATION ON THE LOCALIZED MODES IN POLYACETYLENE

The exact static configuration of the soliton in polyacetylene is determined through the self-consistent iterations and the localized modes around the soliton are numerically caiculated. They are compared with the results that the static configuration of the soliton is assumed to be the kink u₀tanh(n/L). The comparison shows that the self-consistent configuration improves the Goldstone mode by getting the positive-definite vibrational matrix, whereas the other localized modes change their frequencies only less than 0.03%. It confirms that the five localized modes around the soliton do exist in polyacetylene.     

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：     

链间耦合对反式聚乙炔中孤子能谱及其局域振动模的影响

从计及了链间相互作用项的ＳＳＨ模型出发，讨论了相邻两条链间电子跃迁对反式聚乙炔中孤子能谱及孤子附近的局域振动模的影响，结果发现：（１）孤子能级偏离了禁带中心，能谱的对称性被破坏。（２）局域振动模发生劈裂，劈裂后两模的振动位形具有与原模相同的结构，但它们的频率和最大振幅均不同于原局域模。另外，模的频率还与两条链上的孤子类型以及链的相对序列有关。 关键词：     

TWO-DIMENSIONAL LOCALIZED VIBRATIONAL MODES AROUND A POLARON WITH THE NEXT-NEAREST-NEIGHBOR HOPPING INTERACTIONS

We have calculated the vibrational modes around a polaron to test the effects of the next-nearest-neighbor hopping interactions on the localized medes within a framework of the two-dimensional mode. The results show that: (1) For a negative polaron, eleven localized modes have been found, compared with ten modes obtained on a previous work without non-nearest neighbor hopping. (2) For a positive polaron, two additional localized modes occur. (3) The localization of localized modes are strengthened and their frequencies move after turning on the next-nearest-neighbor hopping interactions.     

顺式聚乙炔中双极化子的新电子定域态

本文用自洽迭代的方法研究了顺式聚乙炔cis-(CH)_x中双极化子的电子能谱。结果发现,除了禁带中两个在连续模型中存在的深能级电子束缚态外,还存在一些浅能级的电子束缚态。它们形成分立的能级,并分别位于导带的顶部和底部以及价带的顶部和底部。这些电子态的定域程度随着电子晶格耦合参数λ及电子相互作用U的不同而变化。 关键词：     

THE 2D LOCALIZED MODES OF BIPOLARON IN cis-POLYACETYLENE

The localized vibrational modes around a bipolaron in cis-(CH)_x are studied by using a two-dimensional extension of the SSH model that includes the bond-bending term. A number of additional modes have been found, compared with the results based on the standard SSH model The amplitudes of the two directions (x and y direction) are comparable for most of the modes as in the trans-(CH)_x case. The number of localized modes and their frequencies depend not only on the coupling constant, but also on the bond-bending term and the parameter t₁ in removing the degeneracy of the ground state.     

局域模(实的及虚的)的一种新表述

本文给出了一种新的表述局域模(实的及虚的)的方法。我们引入了变形豫解式的迹P(z).它仅在z平面的实轴上有奇异性,孤立极点对应于实局域模。将P(E+iη)向下解析延拓至第二黎曼面,则其复极点对应于虚的(或不稳定的)局域模。复极点的实部是不稳定局域模的能量,虚部是它寿命的倒数,自然地得到了寿命为正的限制。此能量与寿命符合于相应共振散射的能量与宽度。本文还讨论了实局域模与虚局域模之间的关系。最后,比较了P(z)的奇异性与态密度的变化,并进一步阐明了寿命为正的及负的解之间的差别。指出,一般说来,只有寿命为正的解当作用强度增加时会变成实的局域模,负寿命的解是不会的。     

远红外光纤材料(MnF2)x(BaCl2)100-x玻璃结构的EXAFS和WAXS研究

本文用扩展X射线吸收谱(EXAFS)和X射线大角散射谱(WAXS)对远红外光纤材料复合卤化物玻璃(MnF₂)_x(BaCl₂)_166-x(x=65,60,55)的短程结构进行了研究。从MnK吸收限的EXAFS和样品的非晶衍射图,得到了Mn原子的近邻原子配位信息。结果表明F,Cl原子在Mn原子周围形成了混合配位的八面体(MnCl₂F₄),这些八面体以Mn—F键为桥键连成“之”字型 关键词：     

ESR studies of trans-(CH)x during photoexcitation

A series of spin resonance experiments on samples illuminated with light at photon energies ?ω>E_g are reported. The results set an upper limit on the quantum efficiency for photoproduction of unpaired spins, γ_s? 2×10^-7,implying that the photo-induced excited states and the photo-generated carriers are spinless and are to be associated with charged solitons.     

Dynamic charges for photoexcited defects in trans (CH)x

We show that the dynamic charge for an arbitrary vibrational excitation of a photogenerated defect in (CH)_x vanishes in the SSH Hamiltonian for a band filling which is symmetric with respect to the interchange of electrons and holes. As a consequence solitonic excitons do not contribute to the infrared conductivity although dissociated charged defects do. Trapping of dissociated kinks at defects on the chain is suggested as a pinning mechanism.     

Infrared study of cis-trans isomerization of (CH)x films

Cis-trans isomerization of polyacetylene has been investigated by infrared spectroscopy over the temperature range 115–180°C. It is shown that isomerization is slow at 115°C and becomes rather fast above 140°C. The chemical processes during the isomerization appear to be complex, and a beginning of decomposition occurs above 140°C.     

电子相互作用和孤子元激发(Ⅰ)——电子关联对孤子定域性的影响

研究了电子相互作用对孤子定域性的影响．由于导电聚合物具有宽能带，不宜用Hub-bard模型来描述电子相互作用，需要改用屏蔽库仑势．结果表明，在电子关联对孤子定域性的影响中，屏蔽起了关键作用：弱屏蔽时，电子相互作用会增强孤子的定域性；强屏蔽时，则会削弱其定域性．还从屏蔽与电子关联之间的关系，说明了产生上述结果的物理原因 关键词：     

电子相互作用和孤子元激发(Ⅱ)——电子关联对孤子激发能的影响

电子相互作用对孤子的激发能是增加还是减小，各种理论相互矛盾．分析了产生矛盾的原因，提出了计算孤子激发能的新方法，结果表明：电子相互作用使荷电孤子对的激发能增加，其增加的幅度小于电子-空穴对激发能的增加幅度 关键词：     

Proton NMR studies of the structure of trans-(CH)x

The proton NMR line width in undoped and AsF₅ doped polyacetylene shows an abrupt change as a function of temperature, indicative of motional narrowing. The characteristic temperature for the onset of narrowing decreases with increasing AsF₅ concentration. The results are discussed in terms of large amplitude librational or translational motions of the trans-(CH)_x chains. The magnitudes obtained for the second moment at temperatures below and above the narrowing transition are used to obtain information on the chain packing of trans-(CH)_x within the three-dimensional crystal structure.     

光电反馈式静电悬浮与静电悬浮力测定

本文提出光电反馈式静电悬浮的新方法,简要讨论静电悬浮的原理、装置及其光电反馈控制过程.采用铝片和CD光盘作为悬浮体,测定了不同静电电压和不同悬浮间距时的静电悬浮力,揭示了它们之间的相互关系.结果显示这两种悬浮体均可获得足够的静电悬浮力,证明了静电悬浮的可行性.静电悬浮方法的显着特点是既适用于导电体与非导电体的悬浮,又适用于磁性体与非磁性体的悬浮,克服了传统磁悬浮技术仅适用于磁性体的局限性,可广泛应用于精密元器件的悬浮与非接触无损操作.     

掺杂聚乙炔中的边界效应与孤子对稳定性

在自然边界条件下,研究了含有两个杂质离子的反式聚乙炔链中孤子对的稳定性和电子能级结构。所用哈密顿量在SSH模型基础上,附加了一个端点势,并包含了杂质的屏蔽库仑势及格点上e-e相互作用。计算结果显示,杂质离子的库仑作用力程足够长时,链中形成稳定的孤子对,链端的影响增强这种稳定性。带隙宽度随链的增长而变窄,但孤子能级至导带底的跃迁能量随链长变化不明显。 关键词：     

EFFECTS OF BASE POINTS AND NORMALIZATION SCHEMES ON THE NON-LINEAR NORMAL MODES OF CONSERVATIVE SYSTEMS

In this paper, two factors that affect the behaviors of the non-linear normal modes (NNMs) of conservative vibratory systems are investigated. The first factor is the base points (which are equivalent to Taylor series expanding points) of the non-linear normal modes and the second one is the normalization schemes of the corresponding linear modes. For non-linear systems, in general only the approximated NNM manifolds are obtainable in practice, so different base points may lead to different forms of NNM oscillators and different normalization schemes lead to different forward and backward transformations which in turn affect the numerical computation errors. Three different kinds of base points and two different normalization schemes are adopted for comparison respectively. Two examples of non-linear systems with two and three degrees of freedom, respectively, are given as illustration. Simulations for various cases are made. The analysis and the simulation results indicated that, the best base points are the abstract base points determined via the linear normal mode, which would eliminate the third order terms containing velocity (for cubic systems) or quadratic terms (for quadratic systems) in equations of the NNM oscillators. A better invariance of the NNMs would also be maintained with such base points. The best scheme of normalization is the norm-one scheme that would minimize the numerical errors.