Temperature Changes of Spectra of the Lattice and Surface Oscillations of Organic Molecular Nano-Crystals (COMPUTER Modeling)

Abstract

Dependence of frequency spectra of the lattice oscillations of organic nano-crystals on temperature is studied at presence of vacancies in structure. In a frequency spectrum a number of additional lines monotonously changing with temperature is observed. Also, the spectrum of the surface oscillations is calculated at temperature change. At the same time, the low-frequency line has non-linear behavior with temperature change.

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