Dipartimento di Fisica, Università di Trento, 38050 Povo, Trento, Italy.
Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell'Aquila, 67100 L'Aquila, Italy.
J Chem Phys. 2017 Oct 28;147(16):164501. doi: 10.1063/1.4998696.
We report a compared analysis of inelastic X ray scattering (IXS) and of low frequency Raman data of glassy 3-methylpentane. The IXS spectra have been analysed allowing for the existence of two distinct excitations at each scattering wavevector obtaining a consistent interpretation of the spectra. In particular, this procedure allows us to interpret the linewidth of the modes in terms of a simple model which relates them to the width of the first sharp diffraction peak in the static structure factor. In this model, the width of the modes arises from the blurring of the dispersion curves which increases approaching the boundary of the first pseudo-Brillouin zone. The position of the boson peak contribution to the density of vibrational states derived from the Raman scattering measurements is in agreement with the interpretation of the two excitations in terms of a longitudinal mode and a transverse mode, the latter being a result of the mixed character of the transverse modes away from the center of the pseudo-Brillouin zone.
我们报告了非弹性 X 射线散射(IXS)和玻璃态 3-甲基戊烷的低频拉曼数据的对比分析。通过允许在每个散射波矢处存在两个不同的激发来分析 IXS 光谱,从而对光谱进行了一致的解释。特别是,该方法允许我们根据一个简单的模型来解释模式的线宽,该模型将它们与静态结构因子中的第一尖锐衍射峰的宽度联系起来。在该模型中,模式的宽度来自于色散曲线的模糊化,该模糊化在接近第一赝布里渊区边界时增加。从拉曼散射测量得出的振动状态密度的玻色峰贡献的位置与根据纵向模式和横向模式对两个激发的解释一致,后者是赝布里渊区中心以外的横向模式混合特性的结果。