Investigations of the Spin Hamiltonian Parameters and the Local Structures of the Substitutional V4+ Centres in Rutile-Type MO2 (M = Sn, Ti, Ge)
Investigations of the Spin Hamiltonian Parameters and the Local Structures of the Substitutional V4+ Centres in Rutile-Type MO2 (M = Sn, Ti, Ge)
复制标题
DOI：
10.1515/zna-2008-7-821
复制
发表时间：
2008-08
期刊：
影响因子：
--
通讯作者：
Shao-yi Wu;Li‐Hua Wei;Zhi-Hong Zhang;Xue-Feng Wang;Ji-Zi Lin
中科院分区：
文献类型：
--
作者：
Shao-yi Wu;Li‐Hua Wei;Zhi-Hong Zhang;Xue-Feng Wang;Ji-Zi Lin
The spin Hamiltonian parameters and the local structures of the substitutional V4+ centres in rutiletype MO2 (M = Sn, Ti and Ge) are theoretically investigated from the perturbation formulas of these parameters for a 3d1 ion in a rhombically compressed octahedron. The oxygen octahedra around V4+ are found to transform from the original elongation on the host M4+ site to compression in the impurity centres due to the Jahn-Teller effect. The calculated spin Hamiltonian parameters based on the above local structures show good agreement with the experimental data.
