Papers by Author: J.P. Šetrajčić

Abstract: The dispersion law and density of states of phonons in ultrathin films was analyzed in this paper. It turned out that phonons in a thin film require activation energy for exciting. This leads to extremely low specific heat and specific conductivity at low temperatures. Consequences of quoted facts were discussed in detail and their influence on kinetic and thermodynamic properties of thin films is estimated.

Abstract: The Green’s functions technique suitable for broken symmetry structure analysis was developed. With the help of this new technique the phonon subsystem was analysed in ultrathin films and in cylindrical nanotubes with finite height. The most interesting results of mentioned analyses are spatial dependence of thermodynamical characteristics, existence of phonon gap and extremely low specific heat and thermal conductivity at low temperatures. This promises wide application of films and finite nanotubes in technology. The same technique was applied to investigate electron subsystems in rectangular nanostructures of all dimensions as well as in simple and full nanotubes. The most interesting conclusion of these analyses is the presence of autoreduction effect being the consequence of nonisomorphic transition configuration – momentum space. This effect represents a qualitative difference between nano and macroscopic structures. The skin effect is present in all types of nanostructures except nano-parallelepiped where antiskin effect takes place. The latter is quite understandable, since in nano-parallelepiped nodes are on boundaries.

Abstract: Thin films and interfaces of crystalline organic dyes with semiconducting properties attracted a lot of attention in the last decade due to their numerous applications in electronics and optoelectronics. One of the most studied molecules is 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA); an archetypal organic material that can grow into multilayer films. Despite the great interest and intensive investigations, its optical properties are still not completely understood. The interpretations range from the Wannier-Mott exciton model to models of excitons of small radii. In the present work, we apply the Frenkel exciton model in order to describe the optical behavior of the solid phase of PTCDA, influenced by the transfer of excitations between different molecules. We are able to model the anisotropy of dielectric tensor, lineshape of the complex index of refraction, exciton dispersion and the large Stokes shift between absorption and photoluminescence, results of electron-energy loss spectroscopy, and photoluminescence transition energies and decay times. In addition, we made an extension of the model towards ultrathin PTCDA films.

Abstract: Dispersion laws and states (i.e. probability of finding) of Frankel excitons in ultra-thin molecular films are found using a well-known method of Green’s functions. Space boundaries and changes of energetic parameters on boundaries are considered as perturbations. The cubic crystalline system with complex cell consisted of two molecules (a and b), i.e. bimolecular film, was analyzed in harmonic approximation, and then compared with the results obtained for simple cubic cell systems (i.e. monomolecular film). In both cases the energy spectra show sharp discrete levels, although the energy spectra of bimolecular films split into two zones with discrete levels. Probability of finding exciton in the mono- or bimolecular ultra-thin films is significantly influenced by the perturbation and the values of on-site energies of molecules a and b. Obtained conditions of the existence of localized exciton states at boundaries are of special interest.