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Р. М. Балабай, Д. Ю. Грицуля, А. В. Здещиц, О. Ю. Тарасова
«Електронна структура та діелектрична матриця модельних фотонних кристалів, складених із волокон: розрахунки із перших принципів»
707–720 (2015)

PACS numbers: 42.70.Qs, 61.46.Hk, 71.15.Dx, 71.15.Mb, 71.45.Gm, 78.20.Ci, 78.67.Bf

The paper is concerned with the properties of the electron subsystem of the model photonic crystals formed by fibres of the porous GaAs or graphene layers on SiO2. The main research methods are theoretical calculations based on both the density functional theory and the ab initio pseudopotential method. Using author’s software, the spatial distribution of valence electron density, the distribution of density of electron states, the Coulomb potential along the vector in the crystal, dielectric matrix are calculated. The influence of geometrical parameters of packing of the photonic crystal fibres on the crystal electronic energy bands, the density of the electron states, the spatial distribution of the electron density, the dielectric matrix band structure are determined. Macroscopic dielectric constant is calculated.