Abstract
In the present paper, we report on consistent crystal field calculations of the Cr 3+ ions energy levels in KAl(MoO 4) 2 using actual D 3d site symmetry of the Cr 3+ position and employing the exchange charge model (ECM) of the crystal field. In addition to the energy level calculations, the Huang–Rhys factor S=5.7 and effective phonon energy ℏ ω=268 cm –1 were evaluated in the single configurational coordinate model. Detailed treatment of the microscopic crystal field effects in the ECM framework allowed to obtain analytical dependence of the crystal field strength 10 Dq on the Cr–O interionic distance and extracting from it the values of some parameters of the electron–vibrational interaction (EVI) in the KAl(MoO 4) 2:Cr 3+ system. All obtained results are compared with experimental data and discussed; agreement between the calculated and experimental parameters is good.
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.
