Vibrational density of states in silicon carbide nanoparticles: experiments and numerical simulations
Vibrational density of states in silicon carbide nanoparticles: experiments and numerical simulations
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DOI：
10.1088/0953-8984/17/33/014
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发表时间：
2005-08
期刊：
影响因子：
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通讯作者：
M. Makowska-Janusik;A. Kassiba;J. Bouclé;J. Bardeau;S. Kodjikian;A. Désert
中科院分区：
文献类型：
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作者：
M. Makowska-Janusik;A. Kassiba;J. Bouclé;J. Bardeau;S. Kodjikian;A. Désert
研究了碳化硅纳米颗粒 (np-SiC) 的振动特性与纳米晶体尺寸 (5–25 nm) 及其最外表面特征的函数关系。结合拉曼实验和数值方法来表征活性 SiC 正常模式和振动态密度 (VDOS) 的特征。纳米粉末的拉曼光谱以 VDOS 信号为标志，该信号与纳米颗粒的高比表面及其表面重构所青睐的 SiC 无定形部分相关。通过在具有合适结构和尺寸的 SiC 团簇上开发的数值方法，对纳米 SiC 中的实验 VDOS 特征、红外吸收和拉曼散射特性进行了定量解释。
The vibrational properties of silicon carbide nanoparticles (np-SiC) were investigated as function of the nanocrystal size (5–25 nm) and the features of their outermost surfaces. Raman experiments and numerical methods were conjugated to characterize the signatures from the active SiC normal modes and the vibrational density of states (VDOS). The Raman spectra of the nanopowders were marked by VDOS signals which correlate with the SiC amorphous fractions favoured by the high specific surfaces of the nanoparticles and their surface reconstruction. Quantitative interpretation of the experimental VDOS features, IR absorption and Raman scattering properties in nanosized SiC were carried out by means of numerical methods developed on SiC clusters with suitable structures and sizes.