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Chin. Phys. B, 2016, Vol. 25(7): 077601    DOI: 10.1088/1674-1056/25/7/077601

Covalent bonding and J-J mixing effects on the EPR parameters of Er3+ ions in GaN crystal

Rui-Peng Chai(柴瑞鹏), Long Li(李隆), Liang Liang(梁良), Qing Pang(庞庆)
Department of Physics, Xi'an University of Architecture and Technology, Xi'an 710055, China

The EPR parameters of trivalent Er3+ ions doped in hexagonal GaN crystal have been studied by diagonalizing the 364×364 complete energy matrices. The results indicate that the resonance ground states may be derived from the Kramers doublet Γ6. The EPR g-factors may be ascribed to the stronger covalent bonding and nephelauxetic effects compared with other rare-earth doped complexes, as a result of the mismatch of ionic radii of the impurity Er3+ ion and the replaced Ga3+ ion apart from the intrinsic covalency of host GaN. Furthermore, the J-J mixing effects on the EPR parameters from the high-lying manifolds have been evaluated. It is found that the dominant J-J mixing contribution is from the manifold 2K15/2, which accounts for about 2.5%. The next important J-J contribution arises from the crystal-field mixture between the ground state 4I15/2 and the first excited state 4I13/2, and is usually less than 0.2%. The contributions from the rest states may be ignored.

Keywords:  EPR parameters      covalent bonding effect      J-J mixing effect      rare-earth ion Er3+  
Received:  01 December 2015      Revised:  18 March 2016      Published:  05 July 2016
PACS:  76.30.-v (Electron paramagnetic resonance and relaxation)  
  75.10.Dg (Crystal-field theory and spin Hamiltonians)  
  31.15.-p (Calculations and mathematical techniques in atomic and molecular physics)  
  76.30.Kg (Rare-earth ions and impurities)  

Project supported by the Foundation of Education Department of Shaanxi Province, China (Grant No. 16JK1461).

Corresponding Authors:  Rui-Peng Chai     E-mail:

Cite this article: 

Rui-Peng Chai(柴瑞鹏), Long Li(李隆), Liang Liang(梁良), Qing Pang(庞庆) Covalent bonding and J-J mixing effects on the EPR parameters of Er3+ ions in GaN crystal 2016 Chin. Phys. B 25 077601

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