Anharmonic dynamical behaviour in bcc zirconium

We present inelastic neutron scattering measurements of the low energy and strongly damped phonons in the high temperature bcc phase of zirconium. These phonons were investigated at different scattering vectors but equivalent phonon wave vectors in different Brillouin zones or along different but equivalent paths in the same Brillouin zone. Neither the observed differences in intensity nor in line shapes can be explained by the coherent one-phonon scattering law . This leads to an apparent violation of the fundamental symmetry of lattice dynamics. Taking into account the strong anharmonicity of these phonons, interferences between one- and multi-phonon scattering are held responsible for these effects. Measurements in different scattering planes reveal that due to the symmetry of the bcc lattice, these effects can only be observed in certain directions. Received: 24 December 1997 / Received in final form: 9 March 1998 / Accepted: 19 March 1998     

六方相InGaN外延膜的显微Raman散射

用X射线衍射(XRD)技术和显微Raman散射方法对金属有机化学气相沉积(MOCVD)法生长的六方相In_xGa_1-xN薄膜样品进行了研究，观察到了相分离现象和LO声子-等离子耦合模(LPP⁺)，讨论了In_xGa_1-xN的A₁(LO)模被屏蔽的主要物理机制.同时，对Raman谱中E₂和A₁(TO)声子模进行了分析和讨论.在In_xGa_1-xN样品的低温Raman谱中还观察到单电子跃迁产生的Raman散射信号. 关键词： Raman散射 X射线衍射 相分离 应力 LO声子-等离子耦合     

An electron fluid model for the lattice dynamics of metals

An electron fluid model is proposed for the lattice dynamics of metals which satisfies the requirement of translational invariance and the lattice is in equilibrium without recourse to external forces. The model is applied to calculate the phonon dispersion of sodium in the symmetry directions.     

Temperature dependence of the linewidth of the first-order Raman spectra for MnF2 crystal

The first-order Raman spectra ofE _gandA _1g modes in MnF₂ crystal were measured at temperatures from 4.2 to 563 K, and the values of the linewidths obtained. The temperature dependence of the linewidths was analyzed by the phonon dispersion curves based on the rigid ion model, and the result showed that it was caused approximately by the cubic anharmonic term in crystal potential energy.     

表面光学声子对柱形量子线中三次谐波振荡的影响

本文利用密度矩阵方法研究了表面光学声子对柱形量子线中三次谐波振荡的影响,并且导出了三次谐波振荡的表达式。然后,以GaAs柱形量子线为例作了数值计算。研究表明,当柱形量子线的横向半径d非常小时,电子和表面光学声子之间的耦合强度就非常大,表面光学声子对三次谐波振荡的影响就更强。     

Y3Al5O12的热输运性质的第一性原理研究

基于密度泛函微扰理论（DFPT）结合模守恒赝势方法进行晶格动力学模拟.得到了钇铝石榴石（YAG）的声子态密度、分波声子态密度和声子的色散谱.利用第一Brillouin区的特殊点取样方法,计算了YAG的比热容和布局数平均的声子群速度.在非谐相互作用下,利用Fermi黄金公式结合第一Brillouin区的特殊点取样方法,得出了YAG非谐声子平均自由程.综合考虑了两种声子散射机制,得到了YAG陶瓷的热导率.结果表明,对于YAG陶瓷,在低温时,晶界散射将对热阻起主要作用;在高于一定温度时,三声子相互作用对热阻的贡献将占主导地位.同时也从理论上证明了Sato等提出的在室温以上,YAG陶瓷与单晶的热导率的差异可以忽略的观点.所得到的热导率、比热容随温度的变化与实验结果很好地符合. 关键词： 声子平均自由程 密度泛函微扰理论 3Al₅O₁₂声子结构')" href="#">Y₃Al₅O₁₂声子结构 热导率     

Polar Mixing Optical Phonon Spectra in Wurtzite GaN Cylindrical Quantum Dots： Quantum Size and Dielectric Effects

The interface-optical-propagating （IO-PR） mixing phonon modes of a quasi-zero-dimensional （QOD） wurtzite cylindrical quantum dot （QD） structure are derived and studied by employing the macroscopic dielectric continuum model. The analytical phonon states of IO-PR mixing modes are given. It is found that there are two types of IO-PR mixing phonon modes, i.e. p-IO//z-PR mixing modes and the z-IO//p-PR mixing modes existing in QOD wurtzite QDs. And each IO-PR mixing modes also have symmetrical and antisymmetrieal forms. Via a standard procedure of field quantization, the Frohlich Hamiltonians of electron-（IO-PR） mixing phonons interaction are obtained. Numerical calculations on a wurtzite GaN cylindrical QD are performed. The results reveal that both the radial-direction size and the axial-direction size as well as the dielectric matrix have great influence on the dispersive frequencies of the IO-PR mixing phonon modes. The limiting features of dispersive curves of these phonon modes are discussed in depth. The phonon modes ＂reducing＂ behavior of wurtzite quantum confined systems has been observed obviously in the structures. Moreover, the degenerating behaviors of the IO-PR mixing phonon modes in wurtzite QOD QDs to the IO modes and PR modes in wurtzite Q2D QW and QID QWR systems are analyzed deeply from both of the viewpoints of physics and mathematics.     

Investigation of thermostability and phonon–phonon interactions in Mo6S3I6 nanowires by Raman scattering spectroscopy

Detailed Raman scattering measurements were performed on molybdenum–sulfur–iodine nanowires (Mo₆S₃I₆). At room temperature, 21 well‐resolved Raman modes were experimentally observed for the first time in this new compound. The phase stability and vibrational properties of the nanowires were investigated by different temperature treatments. High‐temperature Raman spectra showed that the phase separation of Mo₆S₃I₆ nanowires took place between 573 and 673 K, followed by appearance of a new mode at 819 cm⁻¹ characteristic of the MoO₃ phase. Low‐temperature Raman scattering spectra showed a significant difference in phonon–phonon interactions between internal and external Raman modes of Mo₆S₃I₆ nanowires. These interesting vibrational properties can give new insights for improved material preparation and achievement of higher conductivity and other functional properties of these otherwise interesting materials. Copyright © 2009 John Wiley & Sons, Ltd.     

One phonon resonant Raman scattering in a quantized spherical film

We have presented a theoretical calculation of the differential cross section (DCS) for the electron Raman scattering (ERS) process associated with surface optical (SO) phonon modes in a semiconductor quantized spherical film. We consider the Fröhlich electron–phonon interaction in the framework of the dielectric continuum approach. We study the selection rules for the processes. Singularities are found to be size-dependent and by varying the size of the QDs, it is possible to control the frequency shift in the Raman spectrum. A discussion of the phonon behavior for the films with large and small size is presented. The numerical results are also compared with that of experiments.     

Phonon Dispersion in Polyadenylic Acid

A study of the normal modes of vibration and their dispersion in polyadenylic acid based on the Urey–Bradley force field is reported. It gives a better interpretation of FTIR spectra as compared with the valence force field. Characteristic features of dispersion curves such as regions of high density‐of‐states, repulsion, and character mixing of dispersive modes are discussed. Predictive valuzes of heat capacity as a function of temperature are reported.