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Information × Registration Number 0210U004032, 0107U001183 , R & D reports Title The elementary energy bands concept and the spatial electron-density distribution in crystals with phase transitions. popup.stage_title Head Bercha Darija M., Registration Date 04-02-2010 Organization State Higher Educational Institution "Uzhgorod National University" popup.description2 The new method, which is based on the elementary energy bands concept, for the formation of the crystal structure after the phase transitions in the semiconductor- ferroelectrics has been proposed. The possibility of the obtaining of the general information about the structural transformation (specifically, increase of the unit cell size in result of the phase transition) and related evolutions of the symmetry and topology of the band structure and the spatial electron -density distribution in the crystals with the different mechanism of the phase transitions is analyzed. The role of the defect subsystem and their relation with the electron and lattice subsystems in the crystals of AIVBVI group is investigated. All results are verified by the ab initio calculations. Product Description popup.authors Глухов Костянтин Євгенович Рущанський Костянтин Золтанович Сліпухіна Іветта Вікторівна Хархаліс Любов Юріївна popup.nrat_date 2020-04-02 Close