Abstract
Applying the Pariser-Parr-Pople (PPP) model and local field method, dielectric tensor, birefringence coefficient, and circular dichroism of the SC, FCC, and Bcc phases of the crystal were studied without considering the spatial dispersion. The effect of the phase type of the crystal on dielectric tensor, birefringence coefficient and circular dichroism was further investigated. The positions and values associated with the peaks of the dielectric function, birefringence coefficient and circular dichroism were also compared. The circular dichroism behaviour was inversely proportional to birefringence coefficient behaviour. The highest peak value related to the dielectric constant of the FCC phase of crystal was 2.5 and 5 times higher than that of BCC and SC phases, respectively. Moreover, the optical gaps pertaining to SC, FCC, and BCC phases of cage were detected at approximately 6.5, 3.2, and 6 eV, respectively.
Disclosure statement
No potential conflict of interest was reported by the author(s).