Theoretical calculations of spin-Hamiltonian parameters for the square planar Pd+ clusters in the -irradiated A(2)PdCl(4) (A=K, NH4) crystals

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	Theoretical calculations of spin-Hamiltonian parameters for the square planar Pd+ clusters in the -irradiated A(2)PdCl(4) (A=K, NH4) crystals
	W. L. Feng; W. C. Zheng
	2013
发表期刊	Philosophical Magazine
ISSN	1478-6435
卷号	93 期号:27 页码:3690-3694
摘要	The spin-Hamiltonian parameters (g factors g(//), and hyperfine structure constants A(//), ) for the square planar Pd+ clusters in the -irradiated A(2)PdCl(4) (A=K, NH4) crystals are calculated from the high-order perturbation formulas based on the cluster approach (in which the admixture between d orbitals of d(n) ion and p orbitals of ligand ions via covalence effect is considered) for d(9) ions in the tetragonal symmetry with the ground state In the calculations, the crystal-field parameters are estimated from the superposition model related to the square planar structure. The calculated results are in reasonable agreement with the experimental values.
部门归属	[feng, w. l.] chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. [feng, w. l.] chongqing univ technol, chongqing key lab time grating sensing & adv test, chongqing 400054, peoples r china. [feng, w. l. ; zheng, w. c.] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [zheng, w. c.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; feng, wl (reprint author), chongqing univ technol, dept appl phys, chongqing 400054, peoples r china. ; wenlinfeng@126.com
关键词	Electron Paramagnetic Resonance Spin-hamiltonian Parameters Crystal- And ligAnd-field Theory Pd++ a(2)Pdcl(4) (A=k Nh4) Atomic Screening Constants Scf Functions K2pdcl4 Spectrum Centers Complexes Resonance Sites Model Field
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语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71212
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. L. Feng,W. C. Zheng. Theoretical calculations of spin-Hamiltonian parameters for the square planar Pd+ clusters in the -irradiated A(2)PdCl(4) (A=K, NH4) crystals[J]. Philosophical Magazine,2013,93(27):3690-3694.
APA	W. L. Feng,&W. C. Zheng.(2013).Theoretical calculations of spin-Hamiltonian parameters for the square planar Pd+ clusters in the -irradiated A(2)PdCl(4) (A=K, NH4) crystals.Philosophical Magazine,93(27),3690-3694.
MLA	W. L. Feng,et al."Theoretical calculations of spin-Hamiltonian parameters for the square planar Pd+ clusters in the -irradiated A(2)PdCl(4) (A=K, NH4) crystals".Philosophical Magazine 93.27(2013):3690-3694.