Anharmonic behaviour of BaFCl using Raman scattering

Raman scattering from oriented single crystals of BaFCl was recorded at various temperatures from 20 to 1073 K for the first time. The Raman spectra, corrected for phonon population, were fitted to the sum of four Lorentzian peaks. The peak frequencies and full width at half maximum (FWHM) of the peaks were obtained from the fit. The FWHM is accounted for by cubic and quartic anharmonic processes. The quartic anharmonicity of the mode increases with the mode frequency. The quartic anharmonicity of the fluorine mode is exceptionally high. The peak frequencies decrease linearly with the increasing temperature. Fluorine mode frequencies decrease more than the internal mode frequencies do. The LO-TO splitting of the fluorine modes and that of the internal modes increases with temperature indicating the increase of the ionic bonding character. The results are discussed. Received: 12 May 1997 / Accepted: 25 July 1997     

Infrared lattice absorption spectra of zinc selenide doped with beryllium

Infrared localized mode sidebands due to the combined excitation of the localized mode and the host lattice modes are observed for ZnSe:Be. Two bands are obtained in the acoustic band mode region. The band at 105 cm^-1 is assigned to a resonant mode and the band at 72 cm^-1 is attributed to the impurity activated TA(X) phonon.     

闪锌矿结构杂质振动特性的研究

本文给出闪锌矿结构中替位杂质的声子谱。系统分析了杂质诱发的局域模,禁带模和共振模的形成规律及特性。除了TA带上方的准局域模外,还发现了在TA声学带下方的新的低频共振模式。 关键词：     

Resonant magnetopolaron effects in GaAs/AlGaAs multiple quantum well structures

A detailed experimental study of electron cyclotron resonance (CR) has been carried out at 4.2 K in three modulation-doped GaAs/Al_0.3Ga_0.7As multiple quantum well samples in fields up to 30 T. A strong avoided-level-crossing splitting of the CR energies due to resonant magnetopolaron effects is observed for all samples near the GaAs reststrahlen region. Resonant splittings in the region of AlAs-like interface phonon modes of the barriers are observed in two samples with narrower well width and smaller doping concentration. The interaction between electrons and the AlAs interface optical phonon modes has been calculated for our specific sample structures in the framework of the memory-function formalism. The calculated results are in good agreement with the experimental results, which confirms our assignment of the observed splitting near the AlAs-like phonon region is due to the resonant magnetopolaron interaction of electrons in the wells with AlAs-like interface phonons.     

Experimental analysis of the vibrational characteristics of the human skull

Analytical models of the human skull structure have generally been constructed so as to characterize the gross geometric features and material properties; however, a model should also have accurate frequency response characteristics since these are essential for collision and head injury analyses. An experimental investigation was conducted to identify the dynamic characteristics of freely vibrating human skulls. Resonant frequencies and associated mode shapes in the frequency band from 20 Hz to 5000 Hz were delineated for two dry human skulls. Osteometrically, one skull corresponds to a 50th percentile male (skull 1) and the second is representative of a 5th percentile female skull (skull 2). Digital Fourier analysis techniques were used to identify the resonant frequencies and corresponding mode shapes of each skull. Eleven resonant frequencies were identified for skull 1, with the lowest being 1385 Hz. In contrast, skull 2 exhibited only 6 resonant frequencies with the first being 1641 Hz. Nine mode shapes were identified for skull 1, but only 5 modes were recognized for skull 2. The vibrational pattern of the human skull, as indicated by its mode shapes in this limited study, seems to be a unique property of a particular skull. Skull satures did not appear to influence the modal pattern.     

Instability of vibrational modes in hexagonal lattice

The phenomenon of modulational instability is investigated for all four delocalized short-wave vibrational modes recently found for the two-dimensional hexagonal lattice with the help of a group-theoretic approach. The polynomial pair potential with hard-type quartic nonlinearity (β-FPU potential with β > 0) is used to describe interactions between atoms. As expected for the hard-type anharmonic interactions, for all four modes the frequency is found to increase with the amplitude. Frequency of the modes I and III bifurcates from the upper edge of the phonon spectrum, while that of the modes II and IV increases from inside the spectrum. It is also shown that the considered model supports spatially localized vibrational mode called discrete breather (DB) or intrinsic localized mode. DB frequency increases with the amplitude above the phonon spectrum. Two different scenarios of the mode decay were revealed. In the first scenario (for modes I and III), development of the modulational instability leads to a formation of long-lived DBs that radiate their energy slowly until thermal equilibrium is reached. In the second scenario (for modes II and IV) a transition to thermal oscillations of atoms is observed with no formation of DBs.     

Double resonance Raman scattering of second-order Raman modes from an individual graphite whisker

Resonant Raman scattering of second-order Raman modes from an individual graphite whisker synthesized by a high-temperature heat-treatment method at a special pressure was discussed here. The dependence of phonon frequencies on the incoming laser light and the frequency difference between Stokes and anti-Stokes scattering show their origin from double resonance Raman scattering. Our results show that all the experimental results of second-order Raman modes in graphite whiskers, such as the excitation-energy dependence on the mode frequency, the frequency shift between a second-order Raman mode and its fundamentals, and the frequency discrepancy between Stokes and anti-Stokes components of a second-order Raman mode can be well understood by double resonance Raman scattering.     

A quantum field theory of localized and resonant modes in 3D nonlinear lattices at finite temperatures I

The effective interaction Hamiltonian in 3D nonlinear lattices is established taking into account the repetitions of the up and down transition of an atom between two levels at the same site. The effective interaction Hamiltonian leads to the Heisenberg equation for phonon operators, which yields the conventional dynamical equation for displacements of atoms in 3D nonlinear lattices in the tree approximation by the boson transformation method. Making the one-loop approximation to the nonlinear potential in the Heisenberg equation, we obtain a dynamical equation with a self-consistent potential created by a localized or a resonant mode. In paper II, we show that the dynamical equation yields solutions for localized and resonant modes at finite temperatures.     

Softening behavior of acoustic phonon mode in ZnO nanoparticles: the effect of impurities and particle size variation with temperature

Decay dynamics of the acoustic phonon mode in ZnO nanoparticles, synthesized using the wet chemical technique, is investigated. It is well established that optic phonon modes in a semiconductor favor an anharmonic decay dynamics; in contrast, acoustic modes evidence a rather complex decay behavior, manifesting their dependence on other parameters such as particle size, impurity species, etc. At lower temperatures (T < 500 K), the anharmonic decay process, caused by the weakening of the bond strength, is responsible for the observed decrease in the acoustic mode wavenumbers. However, particle growth due to the coalescence sintering process is prominent at higher temperatures (>600 K) and governs the softening behavior of the acoustic phonon mode towards the Rayleigh line. On the other hand, the precursor species and reaction byproducts on the surface of ZnO nanoparticles induce an anomalous softening behavior in the decay dynamics at specific temperatures by damping the acoustic phonon mode. Copyright © 2011 John Wiley & Sons, Ltd.     

Free and bound excitons in silver bromide under hydrostatic pressure

Abstract

Employing resonant Raman and luminescence spectroscopy, various exciton states and phonon modes are studied at low temperature in AgBr under hydrostatic pressure up to 0.7 GPa. The deformation potential for the indirect free exciton gap and mode Grüneisen parameters for various phonons are determined. Excitons bound to neutral donors and isoelectronic iodine are found to essentially derive from L-point valence band states.     

Structural relationship between negative thermal expansion and quartic anharmonicity of cubic ScF3

Cubic scandium trifluoride (ScF3) has a large negative thermal expansion over a wide range of temperatures. Inelastic neutron scattering experiments were performed to study the temperature dependence of the lattice dynamics of ScF3 from 7 to 750 K. The measured phonon densities of states show a large anharmonic contribution with a thermal stiffening of modes around 25 meV. Phonon calculations with first-principles methods identified the individual modes in the densities of states, and frozen phonon calculations showed that some of the modes with motions of F atoms transverse to their bond direction behave as quantum quartic oscillators. The quartic potential originates from harmonic interatomic forces in the DO9 structure of ScF3, and accounts for phonon stiffening with the temperature and a significant part of the negative thermal expansion.     

GaAs/AlAs超晶格的近共振喇曼散射研究

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：     

Resonant mode analysis in toroidal cavities with elliptical crosssections

Resonant cavity modes in a torus with elliptical cross section are studied by means of a direct variational method. The nonlinear effects of toroidicity and ellipticity on the frequency of the basic mode are analyzed simply and systematically without the restriction of linear theory. It is shown that the toroidicity effect on the m=0 transverse magnetic mode is ⩽11%. The frequency of the mode shifts ~11-29% when the elongation of the cross section changes from 1 to 2. The effects of toroidicity and ellipticity differ for each resonant mode     

石墨烯的声子热学性质研究

声子是石墨烯导热过程中的主要载体,而声子的弛豫时间又是其中最基本、最重要的物理量.本文采用简正模式分解法研究了石墨烯声子的弛豫时间,并且借此分析了不同声子在导热过程中的贡献.该方法通过平衡分子动力学模拟实现,首先通过模拟得到单个声子的能量自相关函数衰减曲线,并进一步采用拟合和积分两种方法得到单个声子的弛豫时间.然后,研究了弛豫时间与波矢、频率和温度的关系.结果发现,弛豫时间随波矢的变化与对应的色散关系相近,弛豫时间与频率和温度的关系符合理论模型:1/τ=νnTm,其中声学支的n为1.56,而光学支结果较为发散,指数m对于不同声子支结果略有不同.最后,还研究了不同频率声子对导热的贡献,发现低频声子在态密度上占有绝对优势,并且其弛豫时间整体高于高频声子,所以低频声子对导热的贡献占据主导地位.     

基于第一性原理分子动力学的填充方钴矿热输运性质及微观过程的研究

对于重要热电材料之一的填充方钴矿材料,其低热导率的成因存在两种观点:1)填充原子的局域振动引起共振散射降低热导率;2)填充原子的引入加强了三声子倒逆过程来降低热导率.本文采用含有限温度效应的第一性原理分子动力学方法模拟了YbFe_4Sb_(12)的动力学过程,并通过温度相关有效势场方法得到了充分包含非线性作用的等效非谐力常数,研究了微扰近似下的声子输运性质.结果显示,在填充原子振动全部参与三声子倒逆散射过程的近似下,相比于纯方钴矿体系,声子寿命大幅地降低,填充原子的振动是热阻的重要来源.但即便如此,理论计算结果与实验的晶格热导率之间仍存在明显偏离.不同填充原子振动之间的较弱关联性质也揭示其明显偏离经典的声子图像,表现为一种强烈的局域特征振动模式,并以此散射其他晶格声子,因而对热阻的贡献也超出了传统三声子的理论框架.通过将填充原子Yb振动模式的寿命进行共振散射形式的修正,可以使晶格热导率与实验结果符合较好.以上结果表明,YbFe_4Sb_(12)的低晶格热导率是由声子间相互作用以及具有局域振动特征的共振散射两方面因素导致.     

The Fano anti-resonance and IR-properties of organic conductors

At high temperatures, i.e. in the metallic state excitation of the IR-forbidden symmetric intramolecular modes is shown to become effective. Near the threshold of emission for such a phonon there appears a fine structure as a result of the acoustic phonon assisted excitation of the intramolecular mode by energetic band electrons. The absorption reveals the behaviour typical of the Fano anti-resonance. The infrared frequency dependence of the organic compounds conductivity is discussed.     

The effect of gas loading on the RUS spectra of spheres

Resonant Ultrasound Spectroscopy (RUS) of a spherical sample in a pressurizing gas atmosphere was investigated experimentally and theoretically. Measurements were made on a fused silica sphere in He, Ar, and N2 gases up to pressures of 120 bar. The pressure-dependent shift in the resonant frequency, delta f, and the Q-factor were measured for the S00, S11, and T02 modes. A theoretical model based on acoustic radiation impedance was used to calculate delta f and the radiation-resistance component, Qr, of the Q-factor. Agreement between theory and experiment was good for Qr, but there were discrepancies for delta f. It was found that the theoretical delta f due to gas-loading effects associated with acoustic radiation was very small and consistent with the observed dependence on pressure and gas species for the T02 mode but not for the S00 and S11 modes. We conclude that the T02 mode is the most reliable of these modes to use in measuring third-order elastic constants by RUS.     

Size dependence of surface optical mode and electron–phonon coupling in ZnO nanocombs

ZnO nanocombs with different sizes are synthesized by simple thermal evaporation methods. Scanning electron microscopy and transmission election microscopy testify the growth of single crystal ZnO nanocombs along [0 0 0 2] direction. The temperature-dependent Raman spectra show that the intensity of surface optical (SO) modes in ZnO nanocombs obviously increases with declining measure temperatures. With the decrease of diameters, the frequency of SO modes shows a blue shift due to the passivation of surface states. The resonant Raman scattering shows that the strength of electron–phonon coupling increases with decreasing size. Calculated on size-dependent electron–phonon interaction energy agrees well with measured values for a large size range. The origin of electron–phonon coupling in ZnO nanocombs is also discussed.     

局域共振复合单元声子晶体结构的低频带隙特性研究

本文提出了一种新型局域共振复合单元声子晶体结构, 并结合有限元方法对结构的带隙机理及低频共振带隙特性进行了分析和研究. 共振带隙产生的频率位置由所对应的局域共振模态的固有频率决定, 并且带隙宽度与局域共振模态的品质因子及其与基体之间的耦合作用强度有关. 采用局域共振复合单元结构可以实现声子晶体的多重共振, 在低频范围能打开多条共振带隙, 但受到共振单元排列方式的的影响. 由于纵向和横向局域共振模态的简并, 复合单元结构能在200 Hz以下的低频范围打开超过60%宽度的共振带隙, 最低带隙频率低至18 Hz. 这为声子晶体结构获得低频、超低频带隙提供了一种有效的方法. 关键词： 局域共振 低频带隙 复合单元 声子晶体     

Resonant modes due to anion interstitials and anion vacancies in fluorites

The resonant modes due to anion interstitials and anion vacancies in fluorites are computed on the basis of a Green's function formalism. The Green's functions are calculated on the basis of shell model fitted to the phonon dispersion curves of the respective crystals. The force constant changes are calculated by finding the relaxations of the different host atoms and then using the short range potential due to Catlow and Norgett. The calculated frequencies of the resonant mode due to anion interstitials in BaF₂; shows good agreement with the experimental results. The results discussed in a comparative fashion for the three crystals CaF₂, SrF₂; and BaF₂; along with the possibility of their experimental detection.