| Autor: |
Rudysh MY; Department of Theoretical Physics, Jan Dlugosz University in Częstochowa, 13/15, Armii Krajowej Al., 42-200 Częstochowa, Poland., Fedorchuk AO; Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, Pekarska Str. 50, 79010 Lviv, Ukraine., Brik MG; School of Optoelectronic Engineering & CQUPT-BUL Innovation Institute, Chongqing University of Posts and Telecommunications, Chongqing 400065, China.; Centre of Excellence for Photoconversion, Vinča Institute of Nuclear Sciences-National Institute of the Republic of Serbia, University of Belgrade, 11001 Belgrade, Serbia.; Institute of Physics, University of Tartu, 50411 Tartu, Estonia.; Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga, Latvia.; Academy of Romanian Scientists, Ilfov Str. No. 3, 030167 Bucharest, Romania., Grechenkov J; Institute of Physics, University of Tartu, 50411 Tartu, Estonia.; Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga, Latvia., Bocharov D; Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga, Latvia.; Transport and Telecommunication Institute, LV-1019 Riga, Latvia., Piskunov S; Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga, Latvia., Popov AI; Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga, Latvia., Piasecki M; Department of Theoretical Physics, Jan Dlugosz University in Częstochowa, 13/15, Armii Krajowej Al., 42-200 Częstochowa, Poland. |
| Abstrakt: |
The aim of this study is to comprehensively examine the structural composition and properties of the AgAlS 2 crystal during its high-pressure phase. This analysis delves into the second coordination environment of the crystal structure and elucidates the distinct transformations it undergoes during the phase transition. The band energy structure was calculated, and the origin of electronic levels was clarified. It is shown that the crystal becomes non-stratified during the phase transition. This study also determined the values of the crystal's carrier effective masses, underscoring its spatial anisotropy. It was found that the calculated optical functions are similar to the crystal in the chalcopyrite structure, and their differences are shown. Further, this study involved the calculation of the crystal's phonon spectrum, revealing the spectrum's transformation during the phase transition. The vibrational frequencies were also obtained, with a symmetrical classification of vibrational modes. Finally, this study derived the infrared and Raman spectra of the AgAlS 2 crystal, thereby providing a comprehensive picture of the crystal during its high-pressure phase. |
