Studies of the g factors and the superhyperfine parameters for Ni(3+) in the fluoroperovskites

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	Studies of the g factors and the superhyperfine parameters for Ni(3+) in the fluoroperovskites
	Y. X. Hu; S. Y. Wu; X. F. Wang; L. L. Li
	2009
发表期刊	Pramana-Journal of Physics
ISSN	0304-4289
卷号	72 期号:6 页码:989-997
摘要	The g factors and the ligand superhyperfine parameters A' and B' for Ni(3+) in KMgF(3), CsCaF(3) and RbCaF(3) are theoretically studied from the formulas of these parameters for a 3d(7) ion under octahedral environments in the weak field scheme. The unpaired spin densities for the fluorine 2s, 2p, and 2p, orbitals are quantitatively determined from the molecular orbital and configuration interaction coefficients based on the cluster approach. The calculated results show good agreement with the experimental data, based on only one adjustable parameter (i.e., the proportionality factor p related to the ligand s- and p-orbitals). The superhyperfine parameters for the axial and planar ligands in RbCaF(3):Ni(3+) are satisfactorily interpreted from the different impurity-ligand distances due to the elongation of the ligand octahedron during cubic-to-tetragonal phase transition.
部门归属	[hu, y. x.; wu, s. y.; wang, x. f.; li, l. l.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [wu, s. y.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wu, sy (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;wushaoyi@netease.com
关键词	Electron Paramagnetic Resonance Crystal- And ligAnd-field Theory Hyperfine Interactions Ni(3+) Kmgf(3) Rbcaf(3) Cscaf(3) Structural Phase-transition Atomic Screening Constants Iron-group Ions Tetragonal Phase Single-crystals Interatomic Distances Magnetic Properties Fluoride Crystals Scf Functions Perovskite
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31973
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. X. Hu,S. Y. Wu,X. F. Wang,et al. Studies of the g factors and the superhyperfine parameters for Ni(3+) in the fluoroperovskites[J]. Pramana-Journal of Physics,2009,72(6):989-997.
APA	Y. X. Hu,S. Y. Wu,X. F. Wang,&L. L. Li.(2009).Studies of the g factors and the superhyperfine parameters for Ni(3+) in the fluoroperovskites.Pramana-Journal of Physics,72(6),989-997.
MLA	Y. X. Hu,et al."Studies of the g factors and the superhyperfine parameters for Ni(3+) in the fluoroperovskites".Pramana-Journal of Physics 72.6(2009):989-997.