In:
Zeitschrift für Naturforschung A, Walter de Gruyter GmbH, Vol. 71, No. 8 ( 2016-8-1), p. 769-775
Kurzfassung:
The spin Hamiltonian parameters and local structures are theoretically studied for Cu 2+ -doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d 9 cluster. The relative elongation ratios are found to be ρ ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu 2+ –O 2− electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Ba 〈 Ca 〈 Sr) of ρ is largely due to the decreasing crystal-field strength Dq and hence the decreasing force constant of the Cu 2+ –O 2− bonds. The present studies would be helpful to understand local structures and the influences on the optical properties of RPPZ glasses containing copper dopants.
Materialart:
Online-Ressource
ISSN:
1865-7109
,
0932-0784
DOI:
10.1515/zna-2016-0180
Sprache:
Englisch
Verlag:
Walter de Gruyter GmbH
Publikationsdatum:
2016
ZDB Id:
2079610-9
ZDB Id:
124634-3
ZDB Id:
124633-1
ZDB Id:
2767412-5
