Calculation Of Gruneisen Parameter, Compressibility, And Bulk Modulus as Functions Of Pressure In (C6H5CH2NH3)2 PBI4

Authors : Arzu KURT

Pages : 63-75

Doi:10.28979/jarnas.1003367

View : 25 | Download : 12

Publication Date : 2022-03-10

Article Type : Research Paper

Abstract :Hybrid organic-inorganic perovskites insert ignore into journalissuearticles values(HOIPs); exhibit multiple structural phase transitions, which result in enhanced mechanical and electronic properties of these perovskites. Order-disorder of organic components was thought to be the main factor to cause these phase transitions up to the last decade; however, recent research about HOIPs have shown that the structural phase transition also occurs with the induced pressure or temperature. The research studies related to the pressure have attracted a great deal of scholarly interest due to its contribution to the func-tionality of HOIPs in many current applications. Two-dimensional halide perovskites having been synthesized in the last few years have been increasingly studied thanks to its superior hysteresis in flexibility and mechanical properties under pressure. It is important to understand and model theoretically how induced pressure affects mechanical and electronic properties of insert ignore into journalissuearticles values(PMA);2PbI4 in order to develop new potential applications in optoelectronics. In this study, the isothermal mode-Grüneisen parameter, the isothermal compressibility, and the bulk modulus were calculated as functions of pressure at ambient temperature by using the calculated Raman frequencies and observed volume data for the selected IR modes in insert ignore into journalissuearticles values(PMA);2PbI4. These calculated parameters were compared with the observed measurements reported for the Pbca, Pccn and Pccn insert ignore into journalissuearticles values(isostructural); phases in the studied perovskites. The results obtained in the present study, which were highly compatible with the experimental measurements, showed that insert ignore into journalissuearticles values(PMA);2PbI4 is usable in optoelectronic applications.
Keywords : Bulk Modulus, Grüneisen Parameter, HOIPs, Phase Transition