Research of the spin-Hamiltonian parameters and tetragonal distortion for Dy 3+ octahedral clusters in the tetragonal phase of Rb 2 NaYF 6

Polyhedron ◽  
2017 ◽  
Vol 128 ◽  
pp. 145-148
Author(s):  
Yang Mei ◽  
Hong-Gang Liu ◽  
Wen-Chen Zheng
Keyword(s):  
Tetragonal Phase ◽  
Tetragonal Distortion ◽  
Spin Hamiltonian ◽  
Octahedral Clusters ◽  
Hamiltonian Parameters

Spin-Hamiltonian Parameters of Gd3+ Ion in the Room Temperature Tetragonal Phase of BaTiO3

2014 ◽  
Vol 69 (10-11) ◽  
pp. 606-610 ◽  
Author(s):  
Wei-Qing Yang ◽  
Wen-Chen Zheng
Keyword(s):  
Crystal Field ◽  
Tetragonal Phase ◽  
Structural Data ◽  
Zero Field ◽  
Superposition Model ◽  
Spin Hamiltonian ◽  
Experimental Values ◽  
Crystal Field Parameters ◽  
Hamiltonian Parameters ◽  
Electron Crystal

AbstractThe spin-Hamiltonian parameters (g factors g||, g⊥, and zero-field splittings b02 , b04 , b44 , b06 , b46 ) of the 4f7 Gd3+ ion in the tetragonal phase of a BaTiO3 crystal are calculated through the diagonalization (of energy matrix) method based on the one-electron crystal field mechanism. In the calculations, the crystal field parameters are estimated from the superposition model with the structural data of the studied crystal. It is found that by using three adjustable intrinsic parameters Āk(R0) (k=2, 4, 6) in the superposition model, the seven calculated spin-Hamiltonian parameters are in good agreement with the experimental values, suggesting that the diagonalization method based on one-electron crystal field mechanism is effective in the studies of spin-Hamiltonian parameters for 4f7 ions in crystals.

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