Evaluation of Spin Hamiltonian Parameters and Local Structure of Cu{sup 2+}-doped Ion in xK{sub 2}SO{sub 4}–(50 – x)Na{sub 2}SO{sub 4}–50ZnSO{sub 4} Glasses with Various K{sub 2}SO{sub 4} Concentrations
- University of Electronic Science and Technology of China, School of Physical Electronics (China)
The spin Hamiltonian parameters (SHPs), i.e., g factors and hyperfine structure constants, and local structures are theoretically studied by analyzing tetragonally elongated 3d{sup 9} clusters for Cu{sup 2+} in xK{sub 2}SO{sub 4}–(50 – x)Na{sub 2}SO{sub 4}–50ZnSO{sub 4} glasses with various K{sub 2}SO{sub 4} concentrations x. The concentration dependences of the SHPs are attributed to the parabolic decreases of the cubic field parameter Dq, orbital reduction factor k, relative tetragonal elongation ratio τ, and core polarization constant κ with x. The [CuO{sub 6}]{sup 10}– clusters are found to undergo significant elongations of about 17% due to the Jahn–Teller effect. The calculated cubic field splittings and the SHPs at various concentrations agree well with the experimental data.
- OSTI ID:
- 22810113
- Journal Information:
- Journal of Applied Spectroscopy, Vol. 85, Issue 1; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9037
- Country of Publication:
- United States
- Language:
- English
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