Search academic texts

Information × Registration Number 0220U101658, 0117U002203 , R & D reports Title Study of electronic structure and physico-chemical properties of triple and quadruple oxide, chalcogenide and halide phases popup.stage_title Head Khyzhun Oleh Yu., Доктор фізико-математичних наук Registration Date 17-02-2020 Organization Institute for Problems in Materials Science popup.description2  The electronic structure and optical properties of a number of oxide, chalcogenide and halide phases have been investigated by experimental and theoretical methods. According to the first-principle band DFT calculations, hybridization of electronic levels shows a significant part of the covalent chemical bond in A2HgSnB4 (A = Ag, Cu, B = Se, S) compounds, along with the ionic bond. The results of the first-principle DFT calculations show that the Br4p states are the main ones in the valence band Tl4HgBr6, while the Tl6s and Hg6s states make a significant contribution to the lower part of the valence band, and the Tl6s states contribute significantly to the upper part of the valence band of Tl4HgBr6. Ar + ion bombardment of the surface of Tl4HgI6 and Tl10Hg3Cl16 monocrystals does not significantly alter the distribution of the electronic states within the valence band of these compounds. Product Description popup.authors Ilkiv Bogdan I. Verbycka Tetiana V. Denysyuk Natalіya M. Dranenko Oleksiy S. Zolotarenko Anatoliy D. Zolotarenko Оleksiy D. Zolotarenko Oleksandr D. Kopylova Kateryna I. Koshelev Myhailo V. Lysenko Nadija V. Luzhnyi Ivan V. Morina Nina I. Petrovska Svitlana S. Synelnychenko Oleksiy K. Stecun Apolinariy I. Tkach Vira A. Foya Oleksandr O. popup.nrat_date 2020-04-02 Close