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1.
采用非平衡分子动力学(NEMD)方法模拟含有倾斜界面的硅/锗(Si/Ge)超晶格在不同倾斜角、不同周期长度、不同样本长度和不同温度下的导热性能.模拟结果表明,Si/Ge超晶格的热导率随着界面倾斜角的增加而非单调变化.当周期长度为4—8原子层时,界面倾斜角为45°的热导率比其他界面倾斜角时热导率增大了一个数量级,且热导率...  相似文献   

2.
低维热电材料往往可以通过降低声子热导率实现其热电性能的提升。由两种材料交替生长获得的超晶格薄膜较单一材料薄膜具有更低的热导率,通过改变材料的厚度排布,随机排列的非周期性超晶格甚至可以实现更低的热导率。本文基于非平衡分子动力学模拟计算了硅和锗薄膜热导率和非对称界面热阻,构建了随机硅–锗超晶格热导率的数值拟合等效介质模型。引入邻间因子和修正函数后,获得了可以更为准确预测随机排列硅–锗超晶格热导率的修正等效介质模型。将此模型与遗传算法相结合,可以对大量随机超晶格结构进行高通量筛选,实现了热导率的快速优化。结果表明,即使总厚度大的超晶格最低热导率仍能维持在1.4~1.8 W·m-1·K-1,平均周期厚度稳定在2.0~2.5 nm。  相似文献   

3.
构造了界面具有原子混合的硅锗(Si/Ge)单界面和超晶格结构.采用非平衡分子动力学模拟研究了界面原子混合对于单界面和超晶格结构热导率的影响,重点研究了界面原子混合层数、环境温度、体系总长以及周期长度对不同晶格结构热导率的影响.结果表明:由于声子的“桥接”机制,2层和4层界面原子混合能提高单一界面和少周期数的超晶格的热导率,但是在多周期体系中,具有原子混合时的热导率要低于完美界面时的热导率;界面原子混合会破坏超晶格中声子的相干性输运,一定程度引起热导率降低;完美界面超晶格具有明显的温度效应,而具有原子混合的超晶格热导率对温度的敏感性较低.  相似文献   

4.
近周期超晶格中的声学声子及其光散射特性   总被引:1,自引:1,他引:1       下载免费PDF全文
利用转移矩阵方法计算了近周期超晶格体系(包括有限周期数的超晶格、耦合超晶格、层厚起伏和层厚渐变的超晶格)中声学声子的喇曼散射谱.结果表明上述近周期超晶格的光散射特性与理想严格周期的体系和完全无序的体系都不相同,呈现出许多独特的性质.对有限周期数的超晶格,由于边界的存在,喇曼谱中除了理想超晶格中存在的折叠声学声子峰(主峰)外,还会出现一系列等间距分布的卫星峰.对耦合超晶格体系,理想超晶格中存在的主峰将出现分裂.对层厚起伏变化的超晶格,主峰呈现非对称展宽,展宽主要出现在高波数端.计算结果和实验测得的谱线作了比 关键词:  相似文献   

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太赫兹频率的相干声子在纳米尺度器件的探测和操控领域具有重要的应用价值。半导体超晶格声子激光器是实现太赫兹频率相干声子源稳定输出的重要途径。本文首先回顾了GHz到THz频率范围声学放大的多种方法,然后详细阐述了超晶格声子放大、超晶格声学布拉格镜的工作原理与设计方法以及声子激光器的阈值条件,同时总结了电抽运和光抽运结构器件的研究现状,最后简要讨论了亚太赫兹声子激光器在声-电子领域的应用。分析表明,这种能够产生强相干太赫兹声子的半导体超晶格声子激光器在纳米尺度器件的探测与成像等方面具有广阔的发展前景。  相似文献   

8.
本文介绍GaAs/AlAs超晶格的室温近共振喇曼散射测量结果。由于超晶格中Fr?hlich相互作用的共振增强效应,GaAs LO声子偶模的散射得到了很大的增强。和前人的结果一样,在偏振谱我们观察到了偶模。但和前人的结果不同,在退偏振谱中我们观察到的是奇模,而不是偶模。从而证明了在近共振条件下LO声子限制模仍遵从与非共振时一样的选择定则。二级喇曼散射实验结果表明,在偏振谱中二级谱是由两个偶模组合而成,而在退偏振谱中的二级谱与前人的结果不同,由一个奇模与一个偶模组合而成。上述结果与最近提出的黄朱模型的预言是一 关键词:  相似文献   

9.
准周期激励与应变超晶格的动力学稳定性   总被引:5,自引:0,他引:5       下载免费PDF全文
罗晓华  何为  吴木营  罗诗裕 《物理学报》2013,62(24):247301-247301
假设超晶格锯齿形沟道对粒子的作用等效为形状相似的周期场作用. 在经典力学框架内,引入正弦平方势,把粒子运动方程化为具有阻尼项和双频激励项的摆方程. 用Melnikov方法对单频激励系统的分叉与混沌进行分析;用Lyapunov方法对双频激励系统的稳定性进行讨论. 结果表明:在弱非线性情况下,双频激励系统存在局域不稳定,且这种不稳定将向全局扩展,直至混沌的出现;导致混沌的双频激励强度远小于单频激励强度;外加一个适当的超声场可望将这种敏感钝化,使系统的稳定性得到改善. 关键词: 超晶格 准周期激励 混沌 稳定性  相似文献   

10.
鲍华 《物理学报》2013,62(18):186302-186302
用一种非简谐晶格动力学方法, 使用相互作用势作为惟一的输入参数, 准确地计算了固体氩的各个声子的频率和弛豫时间. 并将这些结果进一步和玻尔兹曼输运方程相结合, 预测了固体氩从10 K 到80 K 区间的热导率, 并得到了与实验值非常符合的结果. 分析了运用非简谐晶格动力学方法进行数值计算过程中的各个相关的计算参数, 包括布里渊区中倒格子矢量的选取, δ 函数的展宽的选择等对热导率和声子弛豫时间预测结果的影响. 通过对各个声子模式对热导率贡献的分析, 发现随着温度升高, 高频声子对于热导率的贡献率也逐渐变大, 结果和理论预测完全一致. 关键词: 热导率 固体氩 非简谐晶格动力学 声子  相似文献   

11.
This paper reports temperature-dependent thermal conductivity measurements in the cross-plane direction of symmetrically strained Si/Ge superlattices, and the effect of doping, period thickness and dislocations on the thermal conductivity reduction of Si/Ge superlattices. The Si/Ge superlattices are grown by molecular beam epitaxy on silicon and silicon-on-insulator substrates with a graded buffer layer. A differential 3 ω method is used to measure the thermal conductivity of the buffer and the superlattices between 80 and 300 K. The thermal conductivity measurement is carried out in conjunction with X-ray and TEM sample characterization. The measured thermal conductivity values of the superlattices are lower than those of their equivalent composition bulk alloys.  相似文献   

12.
吕铁羽  陈捷  黄美纯 《物理学报》2010,59(7):4843-4848
由于Si基发光材料能与现有的Si微电子工艺兼容,其应用前景被广泛看好. 设计具有直接带隙的Si基材料,备受实验和理论研究者的关注. 本文根据芯态效应、电负性差效应和对称性效应设计了Si基超晶格Si1-xSnx/Si. 其中Si0.875Sn0.125/Si为直接带隙材料. 在密度泛函框架内,采用平面波赝势法计算表明,Si0.875Sn0.125相似文献   

13.
顾骁坤  曹炳阳 《中国物理》2007,16(12):3777-3782
Non-equilibrium molecular dynamics simulations have been performed to investigate the effect of the cross-section shape on the thermal conductivity of argon nanowires. Some typical cross-section shapes, such as triangle, square, pentagon, hexagon and circle, are carefully explored. The simulation results show that with the same cross-sectional area of the regular polygons, the thermal conductivities decrease with the reduction of the sides of the polygons, and the thermal conductivity of the circular nanowire is larger than those of the other polygonal ones. Phonon gas kinetic theory is used to analyse the phonon transport in nanowires, and the concept of equivalent diameter is proposed to illustrate the characteristic dimension of the none-circular cross-section.  相似文献   

14.
The thermal conductivity of GaAs/AlAs superlattices limited by the three-phonon Umklapp process and boundary scattering has been studied theoretically based on the model of lattice dynamics with force constant matrix. It was found that the Umklapp relaxation rate approximates BTω^2/n with a fitting parameter B. The thermal conductivity increases with the increase of temperature at low temperatures, and would show a peak behaviour at about 60K before falling off at high temperatures. In addition, the thermal conductivity increases with the increase of period thickness of the superlattices.  相似文献   

15.
Si/Ge应变层超晶格的椭偏光谱   总被引:2,自引:0,他引:2  
张瑞智  罗晋生 《光学学报》1997,17(7):70-873
测量了几种不同组分的(Si)M/(Ge)N应变超晶格材料的椭偏光谱(2.0~5.0eV),并得到了其介电函数谱;应用介电函数的临界点理论,研究了(Si)M/(Ge)N应变超晶格材料的光学性质。发现短周期Si/Ge应变超晶格除了具有明显的E1和E2带间跃迁外,还存在与应力和超晶格能带的折迭效应有关的跃迁峰,其能量分别位于2.3~3.0eV和3.3~4.0eV范围内  相似文献   

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17.
We have performed density functional calculations of the vibrational and thermodynamic properties of the ternary antimonides TiXSb, ZrXSb and HfXSb (X = Si, Ge). The direct method is used to calculate the phonon dispersion relation and phonon density of states for these compounds as well as their infrared and Raman active mode frequencies for the first time. Their dynamical stability is confirmed by phonon spectra. The lattice thermal conductivities of these compounds have been calculated from third-order force constants and plotted as a function of temperature. We have also evaluated the high temperature thermal conductivity by means of the Clarke’s model and Cahill’s model. Some selected thermodynamical properties, e.g. Gibbs free energy, entropy and heat capacity at constant volume are predicted theoretically and discussed. We have showed the relationships between thermodynamical properties and temperature.  相似文献   

18.
In this paper, we present an analysis for treating the spectroscopic ellipsometry response of Si/Ge superlattices (SLs) with embedded Ge dots. Spectroscopic ellipsometry (SE) measurement at room temperature was used to investigate optical and electronic properties of Si/Ge SLs which were grown on silicon (Si) wafers having 〈111〉 crystallographic orientation. The results of the SE analysis between 200 nm and 1000 nm indicate that the SL system can effectively be described using an interdiffusion/intermixing model by assuming multicrystalline Si and Si1?x Ge x intermixing layers. The electronic transitions deduced from the analysis reveal Si-, Ge- and alloying-related critical energy points.  相似文献   

19.
G P Srivastava 《Pramana》1976,7(4):236-244
We present a comparison of high-temperature three-phonon resistivities from the relaxation time methods due to Klemens, Callaway, and Debye, and the variational method due to Leibfried and Schlömann. All the calculations are based upon the same choice of anharmonic crystal potential; and hence the results are suitable for comparison on quantitative basis. We find that the resistivities in increasing order of magnitude come from the methods due to Klemens, Callaway Debye, and Leibfried and Schlömann respectively.  相似文献   

20.
Microscopic phonon theory of semiconductor nanocrystals (NCs) is reviewed in this paper. Phonon modes of Si and Ge NCs with various sizes of up to 7 nm are investigated by valence force field theory. Phonon modes in spherical SiGe alloy NCs approximately 3.6 nm (containing 1147 atoms) in size have been investigated as a function of the Si concentration. Phonon density-of-states, quantum confinement effects, as well as Raman intensities are discussed.   相似文献   

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