一维分子链中的极化子

研究一维分子链中的极化子,考虑了晶格动力学矩阵非对角元对声子Hamiltonian的贡献,得出与原有文献形式不同的极化子解. 关键词：     

一维三原子链的格波解及其色散关系

通过求解简谐近似下一维三原子链的晶格振动方程得到其格波解和色散关系,进而研究一维三原子链的晶格振动特点,讨论一维三原子链和一维单原子链色散关系的内在联系.结果表明,一维三原子链的色散关系包含一个声学支和两个光学支,频谱范围和频率禁带与原胞内三个原子的质量都有关联,在原胞内原子质量相等的情况下一维三原子链的色散关系与一维单原子链色散关系所描述的晶格振动模式相同,进而对固体物理教学中容易误解的两个相关问题进行了说明.     

一维Klein-Gordon双原子链中的能隙呼吸子

采用旋转波近似，讨论一维Klein-Gordon双原子链中的能隙呼吸子. 在驻波边界条件下数值求解一维Klein-Gordon双原子链晶格振动的运动方程组，得到不同耦合系数、不同非线性系数以及不同原子质量比情况下的以重原子为中心的对称模能隙呼吸子. 随着耦合系数的增大，原子之间的耦合作用增强，呼吸子的空间扩展范围增大；非线性作用越大，能隙呼吸子局域化越强；随着原子质量差的增大，呼吸子在空间越来越局域. 关键词： 能隙呼吸子 一维Klein-Gordon双原子链 耦合系数 非线性     

孤立子及其相互作用的初等分析（续）

孤立子及其相互作用的初等分析（续）佘守宪（北方交通大学物理系，北京１０００４４）４Ｔｏｄａ晶格的单孤子解与双孤子解４．１Ｔｏｄａ晶格波［６］先考虑一维晶格的线性色散波．如图５，设在直线上有质量为ｍ、相邻距离为ｄ的无穷多个粒子，在相邻两粒子间的准弹性力...     

电子与双声子相互作用对Holstein极化子的影响

在量子化的Holstein模型的基础上再考虑电子与双声子相互作用，运用相干态展开法，得到了一维分子晶体模型处于基态的极化子满足的非线性薛定谔方程及其定态孤子解、基态能量、晶格位移. 关键词： 相干态 极化子 孤立子 非线性薛定谔方程     

一维分子晶体激子-孤子运动的激子运动学和动力学非线性效应

基于一维分子晶体相邻分子间静态作用势和分子间的(电)偶极-偶极相互作用,采用分子投影算符表示一维分子晶体激子系统的模型哈密顿量.在谐振近似下,根据激子运动学和动力学非线性效应的理解,推导了晶格运动和激子-孤子运动的非线性Klein-Gordon(K-G)耦合运动方程组.发现激子运动学和动力学非线性效应不但对孤子波函数的³,²{²}\{x²}有重要贡献,且导致重要的高阶非线性项,分别对⁵非线性和⁷非线性方程给出了解析解.详细分析非线性方程的Bell型孤子和Kink型孤子解结果,发现激子运动学和动力学非线性效应对激子的有效质量m有显著增加贡献,对激子-孤子能量(Ω)有更负的修正,孤子局域范围更小.对Bell型孤子以超声速(v＞c_s)沿一维键传播,而Kink型孤子以亚声速传播(v＜c_s),它们分别出现在激子能带底部和顶部. 关键词： 一维分子晶体 激子-孤立子 运动学和动力学非线性效应 非线性Klein-Gordon方程     

一般情况下一维j原子链的求解及色散关系讨论

本文推导了一般情况下一维j原子链晶格振动的计算模型，并在简谐近似和最近邻近似下获得了晶格的运动方程组。令j=2,3分别计算了一维双原子链及三原子链晶格振动的色散关系，得到了与现有教材及文献相同的结论。本文还讨论了原子质量顺序、恢复力系数顺序等特有晶体结构参数及原子质量大小、恢复力系数大小、晶格常数等一般晶体结构参数对一维三原子链晶格振动色散关系的影响。本文内容可为固体物理教学提供额外的教学素材，帮助学生深入理解晶格振动相关内容，也可为工程上带通滤波器的研发提供一定的参考。     

关于声子的定义及性质

本文通过求解简谐近似的哈密顿量Ｈ０的本征值方程，得出晶格振动能量量子化的结论，引出声子概念．然后对声子的性质进行讨论，并与光子、经典气体的性质作比较，以便揭示声子的基本特性．     

声子气的状态方程和声子气运动的守恒方程

根据爱因斯坦的狭义相对论中质能的等效关系，把固体(本文指非导体)晶格(原子)的质量分为晶格(原子)的静质量和晶格热振动能量的等效质量两个部分，后者就是固体中声子气的等效质量.晶格(原子)热振动的能量则分为晶格(原子)静质量具有的热能以及声子气质量具有的热能.基于固体的状态方程，导得了晶格静质量热振动的状态方程和声子气的状态方程.声子气在固体介质中的宏观运动就是热量在固体中的传递过程.建立了声子气运动的守恒方程组，分析表明，忽略惯性力时声子气的动量守恒方程就退化为傅里叶导热定律，阐明了傅里叶导热定律的物理本质是声子气驱动力与阻力的平衡方程.当热流密度很大惯性力不能忽略时，傅里叶导热定律不再适用. 关键词： 非傅里叶导热 声子气 声子气质量 状态方程 守恒方程     

纳米晶锐钛矿相TiO2的非简谐效应和声子局域

对晶粒尺寸为194,86和56nm的纳米晶锐钛矿相TiO₂,进行了从83到723K的变温拉曼散射测量,并对E_g(1)模式进行了详细研究.根据非简谐效应和声子局域模型,对E_g(1)拉曼峰进行了拟合与计算.结果表明,以上三种纳米晶粒的晶格振动机理,在本质上是相同的.三声子过程对频率蓝移起主要作用.为了得到很好的拟合,需要同时考虑三声子和四声子过程.随着温度的升高,四声子过程增强,并对三声子过程起抵消作用.与非简谐衰减相关的声子寿命随着晶粒 关键词： 2')" href="#">纳米晶TiO₂ 拉曼散射 非简谐耦合 声子局域     

Anharmonic <Emphasis Type="Italic">T</Emphasis> ⊗ ɛ Jahn-Teller coupling in LiCaAlF<Subscript>6</Subscript>: Cr<Superscript>3+</Superscript>

For an octahedral system, we analyzed the coupling between the triple degenerate electronic states of a transition metal ion and the double degenerate vibration of the ligands of the host matrix. The vibrations of the ligands of the lattice are described by new anharmonic coherent states of the Morse potential. For the linear coupling between electronic states and anharmonic vibrations, we built the matrix elements from the interaction Hamiltonian and corresponding energy levels.     

Lattice Model with Traveling Compactons

We introduce a purely anharmonic lattice model with specific double-well on-site potential, which admits traveling compacton-like solitary wave solutions by the inverse method with the help of Mathematica. By properly choosing the shape of the solitary wave solution of the system, we can calculate the parameters of the specific on-site potential. We also found that the localization of the compacton is related to the nonlinear coupling parameter Cnl and the potential parameter V0 of the on-site potential, and the velocity of the propagation of the compacton is determined by the localization parameter q and the potential parameter V0. Numerical calculation results demonstrate that the narrow compacton is unstable while the wide compacton is stable when they move along the lattice chain.     

Lattice Model with Traveling Compactons

We introduce a purely anharmonic lattice model with specific double-well on-site potential, which admits traveling compacton-like solitary wave solutions by the inverse method with the help of Mathematica. By properly choosing the shape of the solitary wave solution of the system, we can calculate the parameters of the specific on-site potential. We also found that the localization of the compacton is related to the nonlinear coupling parameter Cn1 and the potential parameter Vo of the on-site potential, and the velocity of the propagation of the compacton is determined by the localization parameter q and the potential parameter Vo. Numerical calculation results demonstrate that the narrow compacton is unstable while the wide compacton is stable when they move along the lattice chain.     

Thermophysical properties of iridium at finite temperature

The bulk properties of materials in an extreme environment such as high temperature and high pressure can be understood by studying anharmonic effects due to the vibration of lattice ions and thermally excited electrons.In this spirit,in the present paper,anharmonic effects are studied by using the recently proposed mean-field potential(MFP) approach and Mermin functional which arise due to the vibration of lattice ions and thermally excited electrons,respectively.The MFP experienced by a wanderer atom in the presence of surrounding atoms is constructed in terms of cold energy using the local form of the pseudopotential.We have calculated the temperature variation of several thermophysical properties in an extreme environment up to melting temperature.The results of our calculations are in excellent agreement with the experimental findings as well as the theoretical results obtained by using first principle methods.We conclude that presently used conjunction scheme(MFP+pseudo potential) is simple computationally,transparent physically,and accurate in the sense that the results generated are comparable and sometimes better than the results obtained by first principle methods.Local pseudopotential used is transferable to extreme environment without adjusting its parameters.     

计及次近邻作用时一维格子的非线性元激发

同时考虑次近邻谐振相互作用和三次方、四次方非谐相互作用,利用多重尺度结合准离散近似方法去计算晶格振动行为,发现一维非线性点阵中存在包络孤子及正扭结型包络孤子、反扭结型包络孤子,解释了自局域结构的幅度只取决于点阵中的固有参数的实验现象 关键词： 非线性点阵 非谐相互作用 扭结型包络孤子     

一维金刚石结构晶格的非线性局域模

用多重尺度法研究了质量均匀相互作用力交替变化的原子链形成的非线性局域振动模式,这 种原子链模拟了金刚石结构晶格沿〈111〉晶向或一维分子链的振动,通过多重尺度展开分 析得出,原子位移分布服从微扰的非线性Schrdinger方程,求得了相应的定态解和传播解 ,其结果与相互作用力相同质量交替分布的另一种形式的一维双原子晶格的结果有所不同, 其原因是金刚石结构晶格的对称性相对差些. 关键词： 金刚石结构 非线性局域模 多重尺度法     

Rotational vibrational energy of plane symmetrical moleculeX 2 Y 2 Z 2

The rotational vibrational energy of a plane symmetrical transform of a molecule X₂Y₂Z₂ was calculated to the second approximation, while attention was paid to the anharmonic terms of third and fourth order in the potential function, Coriolis interaction of rotation and vibration, centrifugal effects and the dependence of the rotational constants on the state of vibration.     

Raman spectroscopic study of ceramic Sr2Bi4Ti5O18

Raman spectra of ceramic Sr2Bi4Ti5O18 （SBTi5） are reported to consist of four different Raman bands. Temperature-dependent spectra reveal the relationship between the lattice vibration and the material＇s structure. There appears a relatively large change in structure of the material at about 273K, The anharmonic potential of the material has a great influence on its phonon mode full width at half maximum （FWHM）, which can be expressed by a function of temperature. Theoretical fittings of the FWHMs for the two modes at around 312 cm^-1 and 464cm^-1 indicate that the latter phonon mode is more anharmonic than the former one.     

Compact and almost compact breathers: a bridge between an anharmonic lattice and its continuum limit

We demonstrate that certain strictly anharmonic one-dimensional FPU lattices with a suitable quartic site potential appended support almost-compact discrete breathers over a macroscopic localized domain that is essentially fixed independently of the sparseness of the lattice. Beyond that domain the discrete breather tails decay at a double-exponential rate in the lattice-cell index, becoming truly compact in the continuum limit. Furthermore, the discrete breather is stable for amplitudes below a sharp threshold that depends on the sparseness of the lattice. For the two-dimensional version of the problem, the continuum limit of a planar hexagonal lattice with a purely quartic interaction potential begets an isotropic multidimensional nonlinear wave equation. When a quartic site potential of the appropriate sign is appended, the continuum equation has a compactly supported radial breather solution.     

Mechanical bistability in an optical lattice

A probed optical lattice is modelled as a driven anharmonic oscillator with noise. For specific values of the probe intensity and detuning, atoms are forced in bistable solutions. The friction and fluctuations that arise from laser cooling, determine the equilibrium between these two modes of vibration. The distribution determines the absorption spectrum and the transient emission spectrum that is emitted by the optical lattice after the probe has been switched off. Received 23 May 2000 and Received in final form 17 August 2000