Similar to the cases of 3d(n) ions in 4-fold (or 8-fold) and 6-fold cubic coordinations, a simple and uniform method that calculates the spin-lattice coupling coefficients G11 and G44 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 parameters has been established. Through this method, the analytic expressions of G11 and G44 for 3d5 ions in this cubic coordination based on various mechanisms and models have been given. The results are rather different from those in 4-fold (or 8-fold) and 6-fold cubic coordinations. As an example, the coefficients G11 and G44 for Fe3+ in K+ site ( 12-fold cubic coordination) as well as Ta5+ site (6-fold cubic coordination) of KTaO3 crystal are studied from the important spin-orbit coupling mechanism. When we compare these results with the experimental findings, it appears that the Fe3+ ion is in a Ta5+ site, and not in a K+ site as shown by some researchers.
部门归属
acad sinica,int ctr mat phys,shenyang 110015,peoples r china.;zheng, wc (reprint author), sichuan univ,dept mat sci,chengdu 610064,peoples r china
W. C. Zheng. SPIN-LATTICE COUPLING-COEFFICIENTS G(11) AND G(44) FOR 3D(5) IONS IN 12-FOLD CUBIC COORDINATION[J]. Physica B-Condensed Matter,1992,179(1):35-42.
APA
W. C. Zheng.(1992).SPIN-LATTICE COUPLING-COEFFICIENTS G(11) AND G(44) FOR 3D(5) IONS IN 12-FOLD CUBIC COORDINATION.Physica B-Condensed Matter,179(1),35-42.
MLA
W. C. Zheng."SPIN-LATTICE COUPLING-COEFFICIENTS G(11) AND G(44) FOR 3D(5) IONS IN 12-FOLD CUBIC COORDINATION".Physica B-Condensed Matter 179.1(1992):35-42.
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