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EPR theoretical study of local lattice structure in Al2O3:Fe system |
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| Authors: | Wei Lu Kang-Wei Zhou Dong Die |
| Institution: | a Department of physics, Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China b International Centre for Materials Physics, Academia Sinica, Shengyang 110016, China c Department of Electronic Information and Electrical Engineering, Xihua University, Chengdu 610039, China |
| Abstract: | By analyzing the EPR spectrum of transition-metal ion Fe3+ in Al2O3:Fe3+ system, the local lattice structure around impurity Fe3+ ion in the crystal has been studied by means of the diagonalization of the energy matrices of the electron-electron repulsion, the ligand-field and the spin-orbit coupling for a d5 configuration ion in a trigonal ligand-field. Both the second-order and fourth-order EPR parameters D and (a−F) are taken simultaneously in the structural investigation. The results indicate that the two three-edge-pyramids elongated obviously along C3 axis. The two distortion angles Δθ1=−1.1±0.1°,Δθ2=−1.8° as well as the two Fe-O bond lengths R1=2.016 A, R2=1.907 A are determined, respectively. |
| Keywords: | D Crystal structure |
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