Abstract
First principles generalized gradient full potential density-functional calculations were performed to predict the optical and magneto-optical (MO) properties of the chalcopyrite compounds ZnTMO2, TM=Cr, Mn, Fe, Co and Ni. Detailed investigation of the electronic band structure and density of states is reported. The optical properties in the 0–8eV energy range are analyzed in terms of band structure transitions. As for the magneto–optical properties, our results show that the studied compounds have peaks in the Kerr rotation ranging from infrared to ultraviolet radiation, with ZnFeO2 having the highest Kerr rotation angle of 10° and −8.46° at 0.35eV and 4.59eV, respectively. The peaks in the Kerr spectra were assigned to the optical and magneto–optic contributions. Our calculated function of merit for these compounds indicates that these compounds might be useful for technological application in high density storage.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
