纳米一维双原子晶体颗粒的RAMAN光谱线形研究

推导了单声子Raman微分散射截面和位移-位移格林函数之间的关系公式。以一维双原子晶体为例,计算了纳米双原子晶体的Raman光谱线形,结果表明,短波长的光学声子导致了纳米晶体Raman光谱线形的不对称,展宽和红移。     

纳米单原子链的热传导

根据Hardy能流密度公式、Kubo热导率公式,推导了纳米单原子链的热传导系数公式,并进行了数值计算.研究结果表明,纳米原子链的热传导系数小于无限长原子链的热传导系数,并且纳米原子链的长度越短,则热传导系数越小.这些现象可以作如下解释:原子链可以看作是一维晶格,格波在到达原子链端点时会发生反射,而改变了格波的能量传播方向,使能流密度降低,从而使纳米原子链的热导率小于无限长原子链的热导率.并且原子链越短,格波在到达原子链端点的过程中衰减越小,从而使反射格波的能流密度越接近于入射格波的能流密度,使能流密度更为降低,从而使纳米原子链的热导率更小.     

纳米晶体线的晶格动力学格林函数及晶格振动

通过求解差分方程,推导了纳米晶体线的晶格动力学格林函数,分析了其晶格振动,并推导了声子数表象中的原子位移及晶格振动哈密顿公式.研究结果表明,纳米晶体线的晶格振动能带分裂为一系列的子带,格波只能沿纳米晶体线的纵向传播,沿纳米晶体线的横截面只存在驻波.     

双原子正方晶格光子晶体边界模式的光传输特性

利用平面波展开法,发现双原子正方晶格光子晶体中ΓM方向边界面存在着快慢两类边界模式,并且通过计算色散关系和电场分布研究了边界参量对这两类边界模式传输特性的影响.依据两种模式的色散关系,计算了群指数和群速度色散参量,结果表明边界参量的变化对第一类边界模式传输特性的影响较小,该模式的平均群指数始终维持在5.0左右;第二类边界模式与第一类模式明显不同,边界参量的变化能够有效地影响到这种模式的传输特性,该模式的最大平均群指数可达178左右.利用时域有限差分法记录了不同时刻电场强度在边界附近的分布及监测点处的电场幅度变化情况,结果表明,两类模式都能够被限制在边界附近并向前传播,时域有限差分法得到的群速度与平面波展开法的结果完全吻合.     

InP纳米颗粒的超快动力学和光学非线性

通过飞秒泵浦-探测方法测量了波长为800 nm时InP半导体纳米颗粒激发态的瞬态动力学过程。观察到一个快速的光致漂白建立和一个漂白的恢复过程,分析饱和吸收的来源可能是带填充效应引起跃迁的饱和吸收。对于漂白恢复中的快过程是由于自由载流子的弛豫,而慢成分是由于光激发载流子在很短的时间内受陷于表面态形成的限域载流子的弛豫。通过飞秒光克尔效应(OKE)方法测量材料的超快非线性响应曲线,计算了材料的光学三阶非线性极化率,分析了非线性的来源。     

稳定的金-银与金-铜合金纳米颗粒的制备和应用

金、银、铜等贵金属的纳米结构都具有表面等离激元共振效应,在表面增强拉曼散射(SERS)和光催化领域具有重要的应用价值。合金纳米颗粒有望兼具多种金属的优点,赋予金属纳米颗粒更多优良品质。本论文中,我们通过改进“Brust”法,成功合成了直径1～5 nm的Au₁Ag₁和Au₁Cu₁合金纳米颗粒,所制备的合金纳米颗粒在空气中具有良好的稳定性,并在有机溶剂中具有良好的溶解性。利用溶液法组装的Au₁Ag₁和Au₁Cu₁合金SERS基底,分别对532 nm和785 nm的激发光表现出良好SERS性能。相同条件下,Au₁Ag₁基底比Au基底对R6G探针分子的拉曼信号强度提高了2～4倍,表现出良好的SERS活性。Au₁Cu₁合金基底则比Au₁Ag₁合金和Au基底表现出更强的光催化活性,在光催化领域表...     

基于纳米线波导和一维光子晶体纳米梁腔的模分-波分混合解复用器

设计了一种基于纳米线波导和一维光子晶体纳米梁腔的模分-波分混合解复用器,该器件由波分解复用(WDM)和模分解复用(MDM)两部分组成.其中,波分解复用部分由两个一维光子晶体纳米梁腔构成,模分解复用部分采用硅基纳米线波导结构.利用三维时域有限差分法,计算分析了该混合解复用器的性能参数.结果 表明,该器件可以在波长1570...     

一维双原子链中杂质的局域振动

讨论了一维双原子链中杂质的局域振动，对杂质原子替代大原子和替代小原子的情况进行了分析，分别得到这两种情况下的高频模和隙模的频率。     

Deducing of displacement-displacement Green's function of one dimensional diatomic nanocrystal particle

只考虑最近邻原子间的简谐力互作用,应用Dyson方程推导了纳米一维双原子晶体颗粒的位移-位移格林函数,并在此基础上研究了其声子结构。     

Pressure-dependent EXAFS mean-square relative displacements of germanium and silicon crystals

In this paper, the statistical moment method (SMM) has been developed to study the pressure dependence of thermodynamic quantities of germanium and silicon crystals. We have derived the analytical expressions of the pressure-dependent parallel mean-square relative displacement (MSRD) or extended X-ray absorption fine structure (EXAFS) Debye–Waller factor, mean-square displacement (MSD) as well as lattice constant and volume change of diamond-type crystals. Numerical calculations performed for these semiconductors up to 11 GPa are found to be in good and reasonable agreement with available experimental data as well as with previous theoretical studies. Our results indicate that the SMM can be efficiently used for determining the relative change of the pressure-dependent MSRDs of germanium and silicon semiconductors. The research also shows the advantage of SMM on studying other thermodynamic properties of materials under high pressures.     

Mean-square displacements of metal and boron atoms in crystal lattices of rare-earth hexaborides

The intensities of the I₄₁₀ and I₄₁₁ reflections of nine rare-earth hexaborides MB₆ (M=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) are experimentally studied in the temperature range 4.2–300 K. The mean-square displacements of metal and boron atoms are calculated from the temperature dependences of the intensities I₄₁₀(T) and I₄₁₁(T). The characteristic temperatures of the metal (θ_M) and boron (θ_B) sublattices of rare-earth hexaborides are determined in the Debye approximation. It is found that the characteristic temperatures decrease with an increase in the atomic number of the metal.     

Mean-square atomic displacements in f.c.c. crystals

The mean-square displacements of volume atoms, surface atoms and atoms near a vacancy are calculated for f.c.c. metals and rare gas solids, using a simple series expansion of the Wallis formula. We employ a model with rotationally invariant bond bending forces, unlike the de Launay model used by Masri and Dobrzynski. For atoms near a vacancy and for rare gas solids this method has been applied for the first time. The calculations are done to the R⁴ term in the expansion. The inclusion of the R⁴ term together with temperature-dependent elastic constants give results which are in better agreement with experiment. For rare gas solids Lindemann ratios calculated by this method agree closely with the values obtained from elaborate computations as well as those deduced from entropy data. The present calculation also supports the view that the melting of solids is initiated at the crystal surfaces and in the neighbourhood of vacancies.     

Theory of surface atom mean square displacements in chromium

The temperature dependence of the mean square displacements for atoms on the (100) and (110) surfaces of chromium has been studied theoretically using the harmonic approximation. Calculations were carried out for crystals with periodic boundary conditions in two directions and free boundary conditions in the third direction using a Born-van Karman model with central interactions up to third nearest neighbors and non-central angular stiffness interaction between nearest and next nearest neighbors. The values of the force constants were chosen to give good fits to the elastic constants and to the bulk phonon dispersion curves in the three major directions [100], [110] and [111]. The ratio of the mean-square displacements at a surface to that in the bulk was calculated as a function of temperature for both the (100) and (110) surfaces. The theoretical, results are compared with the available experimental data from low-energy electron diffraction.     

Interferometric measurement of displacements and displacement velocities for nondestructive quality control

It is shown that the interferometric measurement of small displacements and small-displacement velocities can be used to determine internal stresses or the stresses induced by an applied load in solids and to control structural changes in them. The interferometric method based on the measurement of the reaction of a solid to a small perturbation in its state of stress is applied to determine stresses from the deviation of the reaction to perturbations from that in the standard stress-free case. For structural control, this method is employed to study the specific features of the characteristics of microplastic deformation that appear after material treatment or operation and manifest themselves in the temperature and force dependences of the rate of a small inelastic strain.     

On the calculation of rms atom displacements in a crystal lattice

A new general method is presented for calculating rms displacements and velocities of an arbitrary system of atoms performing harmonic oscillations. For illustrating purposes, the rms displacements of atoms in a particular crystal lattice model are calculated, including foreign atoms in subsurface regions of the crystal.