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LI Chao-ying, YANG Jian-rong. Theoretical Explanation of the Local Structures and Spin Hamiltonian Parameters in Ca(OD)2 of the Tetragonal Cu2+ Center[J]. Journal of University of Electronic Science and Technology of China, 2012, 41(3): 405-407. doi: 10.3969/j.issn.1001-0548.2012.03.016
Citation: LI Chao-ying, YANG Jian-rong. Theoretical Explanation of the Local Structures and Spin Hamiltonian Parameters in Ca(OD)2 of the Tetragonal Cu2+ Center[J]. Journal of University of Electronic Science and Technology of China, 2012, 41(3): 405-407. doi: 10.3969/j.issn.1001-0548.2012.03.016
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Theoretical Explanation of the Local Structures and Spin Hamiltonian Parameters in Ca(OD)2 of the Tetragonal Cu2+ Center

doi: 10.3969/j.issn.1001-0548.2012.03.016
  • 1.

    College of Physics and Electronic Information,Shangrao Normal College Shangrao Jiangxi 334000;

  • 2.

    Department of Physics,Shanghai Jiaotong University Minhang Shanghai 200240

  • Received Date: 2010-06-19
  • Rev Recd Date: 2011-04-12
  • Publish Date: 2012-06-15
  • Based on the cluster approach, the high-order perturbation formulas for a 3d9 ion in tetragonal octahedral are established and applied to the studies of the spin Hamiltonian parameters of the g facts g|| and g⊥ and the hyperfine structure constants A|| and A⊥. In these formulas, the contributions to the g factors from the tetragonal distortion are characterized by the tetragonal field parameters DS and Dt. Since the spin Hamiltonian parameters are sensitive to the local structure of a paramagnetic impurity center, the defect structure of Cu2+ center in Ca(OD)2 crystal is estimated, the oxygen octahedron is found to undergo the local elongation ΔZ (0.008 3 nm) along the C4 axis. Based on the above local structure, the calculated results show good agreement with the experimental data, and the defect structure of Cu2+ center in Ca(OD)2 crystal.
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Theoretical Explanation of the Local Structures and Spin Hamiltonian Parameters in Ca(OD)2 of the Tetragonal Cu2+ Center

doi: 10.3969/j.issn.1001-0548.2012.03.016
  • 1. College of Physics and Electronic Information,Shangrao Normal College Shangrao Jiangxi 334000;
  • 2. Department of Physics,Shanghai Jiaotong University Minhang Shanghai 200240
  • Received Date: 2010-06-19
  • Rev Recd Date: 2011-04-12
  • Publish Date: 2012-06-15

Abstract: Based on the cluster approach, the high-order perturbation formulas for a 3d9 ion in tetragonal octahedral are established and applied to the studies of the spin Hamiltonian parameters of the g facts g|| and g⊥ and the hyperfine structure constants A|| and A⊥. In these formulas, the contributions to the g factors from the tetragonal distortion are characterized by the tetragonal field parameters DS and Dt. Since the spin Hamiltonian parameters are sensitive to the local structure of a paramagnetic impurity center, the defect structure of Cu2+ center in Ca(OD)2 crystal is estimated, the oxygen octahedron is found to undergo the local elongation ΔZ (0.008 3 nm) along the C4 axis. Based on the above local structure, the calculated results show good agreement with the experimental data, and the defect structure of Cu2+ center in Ca(OD)2 crystal.

LI Chao-ying, YANG Jian-rong. Theoretical Explanation of the Local Structures and Spin Hamiltonian Parameters in Ca(OD)2 of the Tetragonal Cu2+ Center[J]. Journal of University of Electronic Science and Technology of China, 2012, 41(3): 405-407. doi: 10.3969/j.issn.1001-0548.2012.03.016
Citation: LI Chao-ying, YANG Jian-rong. Theoretical Explanation of the Local Structures and Spin Hamiltonian Parameters in Ca(OD)2 of the Tetragonal Cu2+ Center[J]. Journal of University of Electronic Science and Technology of China, 2012, 41(3): 405-407. doi: 10.3969/j.issn.1001-0548.2012.03.016
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