Theoretical studies of the local structures and spin Hamiltonian parameters for Cu2+ in alkaline earth alumino borate glasses
The local structures and spin Hamiltonian parameters are theoretically studied for Cu 2 + in alkaline earth alumino borate (XAB, X = Mg, Ca and Sr) glasses by using the perturbation calculations for tetragonally elongated octahedral 3d9 groups. The [ CuO 6 ] 1 0 − groups are subject to the large rel...
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Published in | Modern physics letters. B, Condensed matter physics, statistical physics, applied physics Vol. 32; no. 2; p. 1750331 |
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Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
Singapore
World Scientific Publishing Company
20.01.2018
World Scientific Publishing Co. Pte., Ltd |
Subjects | |
Online Access | Get full text |
ISSN | 0217-9849 1793-6640 |
DOI | 10.1142/S0217984917503316 |
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Summary: | The local structures and spin Hamiltonian parameters are theoretically studied for Cu
2
+
in alkaline earth alumino borate (XAB, X = Mg, Ca and Sr) glasses by using the perturbation calculations for tetragonally elongated octahedral 3d9 groups. The
[
CuO
6
]
1
0
−
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. |
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Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 14 |
ISSN: | 0217-9849 1793-6640 |
DOI: | 10.1142/S0217984917503316 |