| Abstract [eng] |
Metal, semiconductor crystals and their alloy XPS are measuring in the world. However, the ferroelectric electronic structure, form bands and their changes were not investigated. The aim of dissertation is to interpret and theoretically calculate the experimentally measured SbSI, SbSeI, BiSI, TlInSe2, Sn2P2S6 crystals XPS. The same crystals of different phases and even very different crystal forms of the XPS bands similarity shows their basic nature. Therefore, XPS analysis, their approximation and analysis have principled theoretical value explaining what from these crystals valence bands depends on, how phase transition changes electronic structure of crystal and what bands changes determine surface crystal properties and temperature. Explanation of physical phenomena is based not only on quantitative assessments of changes in the experimental XPS but theoretical ab initio calculations of the molecular models. For the first time XPS forms were investigated in a wide temperature range and completely new results were received. This commenced a unique scientific direction - Ferroelectrics XPS forms and their dependence on electronic structure studies, thus we have managed to avoid the surface ionization problems and look at the crystal volume. |
