Crystal field effects and electron–phonon interaction in K2LiAlF6:Cr3+

✍ Scribed by A.M. Reisz; M.G. Brik; C.N. Avram; N.M. Avram

• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 161 KB
• Volume: 405
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2009.11.057

✦ Synopsis

The crystal field effects and electron-phonon interaction in K 2 LiAlF 6 :Cr 3 + elpasolite crystal were studied using the exchange charge model (ECM) of crystal field and harmonic approximation of lattice vibrations. The crystal field parameters (CFP) and energy level scheme for the [CrF 6 ] 3 À cluster were calculated. As a further application of the ECM, the crystal field strength 10Dq was studied for different ''impurity ion-ligand'' distances R. By fitting these values to the power law 10Dq E R À n of coordinate R, the value of n was obtained as 4.56796. Several physical quantities (such as the electron-vibrational interaction constants, Stokes shifts, Huang-Rhys factors and Jahn-Teller stabilization energy) associated with the two normal vibrational modes a 1g and e g of the [CrF 6 ] 3 À complex coupled with the Cr 3 + electronic states, were calculated. The obtained results are compared with experimental data and discussed.