Spin-lattice coupling coefficients G11 and G44 for 3d5 ions in twelve-fold cubic coordination

✍ Scribed by Zheng Wen-Chen

• Publisher: Elsevier Science
• Year: 1992
• Tongue: English
• Weight: 554 KB
• Volume: 179
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/0921-4526(92)90617-2

✦ Synopsis

Similar to the cases of 3d" ions in 4.fold (or X-fold) and h-fold cubic coordinations, a simple and uniform method that calculates the spin-lattice coupling coefficients G,, and G,, for those ions in the more complex 12-fold cubic coordination from the derivatives of zero-field splittings in low symmetries with respect to the distinct structural paramctcrs ha5 been established. Through this method. the analytic expressions of CT,, and G,, for 3d' ions in this cubic coordination based on various mechanisms and models have been given. The results are rather different from those in J-fold (or X-fold) and h-fold cubic coordinations. As an example, the coefficients G,, and G,, for Fe " in K ' site (12.fold cubic coordination) as well as Ta' site (h-fold cubic coordination) of KTaO, crystal are studied from the important spin-orbit coupling mechanism.

When we compare these results with the expcrimentai findings. it appears that the Fe" ion is in a Ta" site, and not in a K site as shown by some researchers