| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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Theoretical Investigations on the Off-Center Displacement of Co2+ in SrO by Analyzing Its Anisotropic g Factors |
| LU Guang-Duo, ZHANG Huai-Wu, TANG Xiao-Li, ZHONG Zhi-Yong, PENG Long |
| State Key Laboratory of Electronic Thin films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 |
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| Cite this article: |
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LU Guang-Duo, ZHANG Huai-Wu, TANG Xiao-Li et al 2009 Chin. Phys. Lett. 26 086103 |
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Abstract The off-center displacement of Co2+ ion in SrO crystal is investigated by analyzing its anisotropic g factors gx, gy and gz through diagonalization of the 6×6 energy matrix within 4T1 ground state for a 3d7 ion under rhombic symmetry. In the matrix, the contributions from the admixtures of various J(=1/2, 3/2, 5/2) states and the fourth-order term Dη of rhombic crystal-fields and the ligand orbitals and spin-orbit coupling interactions, which are usually ignored in the previous studies, are considered. Both g factors (gx=4.172, gy=5.004 and gz=2.133) and the off-displacement value (ΔR≈0.023nm) show good agreement with the experimental data.
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| Keywords:
61.72.Hh
61.72.-y
76.30.Fc
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Received: 06 May 2009
Published: 30 July 2009
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| PACS: |
61.72.Hh
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(Indirect evidence of dislocations and other defects (resistivity, slip, creep, strains, internal friction, EPR, NMR, etc.))
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61.72.-y
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(Defects and impurities in crystals; microstructure)
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76.30.Fc
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(Iron group (3d) ions and impurities (Ti-Cu))
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