1. Absorption and Raman scattering by molecule adsorbed on crystal surface: Many particles approach
- Author
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H. Ratajczak, Austin J. Barnes, V.V. Koroteev, Yu.A. Romanyuk, Oleksandr Hreshchuk, Volodymyr O. Yukhymchuk, and A.M. Yaremko
- Subjects
010304 chemical physics ,Chemistry ,Fermi level ,General Physics and Astronomy ,Electron ,010402 general chemistry ,01 natural sciences ,Molecular physics ,0104 chemical sciences ,Crystal ,symbols.namesake ,0103 physical sciences ,symbols ,Molecule ,Particle ,Physics::Chemical Physics ,Physical and Theoretical Chemistry ,Absorption (electromagnetic radiation) ,Spectroscopy ,Raman scattering - Abstract
The spectroscopy of an organic molecule adsorbed on the surface of a crystal is studied using the many particle approach. The interaction between electrons and vibrations of the molecule as well as the interaction of crystal electrons between each other and with the electrons of the molecule is taken into account. It is supposed that molecules adsorbed on the surface do not interact one with another directly but rather such interaction arises by the electrons of the crystal. All these interactions give rise to a very complicated dependence of the spectrum. Because all molecules are arbitrarily distributed on the crystal surface the symmetry of the system molecule-crystal surface is small, C1, and so all forbidden rules for absorption and Raman scattering (RS) processes are identical. Numerical simulation of the frequency dependence of absorption (or RS) coefficient, obtained in the framework of micro-approach using the Green function method, showed that at some relations between energy excitation of the molecule and the gap between the electron bands of the crystal film, and also the position of the Fermi level, can result in significant enhancement of absorption (or RS), relative to the free molecule, in the complex molecule-crystal film.
- Published
- 2019