Abstract
The polarized electronic absorption spectra of a blue vanadium-doped zircon single crystal, grown by the flux method, has been studied by quantum chemical (CI) calculations in order to determine the position of the V 4+ dopant in the zircon host structure. Particularly, the excitation energies and polarizations of V 4+ occupying alternate positions, either the zirconium or silicon position or the interstitial site 16 g, have been considered. It is concluded that the observed electronic absorption spectra and the color of zirconblue can only be explained if the V 4+ chromophore is placed on the respective interstitial position.
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.
