Theoretical studies of the local structures and spin Hamiltonian parameters for Cu2+ in alkaline earth alumino borate glasses
Keyword(s):
The local structures and spin Hamiltonian parameters are theoretically studied for Cu[Formula: see text] in alkaline earth alumino borate (XAB, X = Mg, Ca and Sr) glasses by using the perturbation calculations for tetragonally elongated octahedral 3d9 groups. The [Formula: see text] groups are subject to the large relative tetragonal elongation ratios of 15.4%, 13.4% and 13.0% for MgAB, CaAB and SrAB glasses, respectively, arising from the Jahn–Teller effect. The decreasing cubic field parameter Dq, orbital reduction factor k and relative elongation ratio with the increase of the radius of alkaline earth ion X from Mg to Ca or Sr are analyzed for the studied systems in a uniform way.
2010 ◽
Vol 65
(6-7)
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pp. 591-598
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2015 ◽
Vol 29
(25n26)
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pp. 1542015
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Studies of the Local Distortions and the EPR Parameters for Cu2+ in xLi2O-(30–x)Na2O-69·5B2O Glasses
2016 ◽
Vol 71
(3)
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pp. 249-254
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2009 ◽
Vol 23
(17)
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pp. 2115-2122
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2008 ◽
Vol 63
(7-8)
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pp. 523-528
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Keyword(s):
2010 ◽
Vol 24
(22)
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pp. 2357-2364
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