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Theoretical studies of the EPR spectra and local structures for Cu2+ and V4+ doped halo-borate glasses.
- Source :
-
Materials Science & Engineering: B . Sep2021, Vol. 271, pN.PAG-N.PAG. 1p. - Publication Year :
- 2021
-
Abstract
- • High order perturbation method is applied to study experimental EPR spectra. • Local environment and stability of glasses can be modified by halides. • Halides' electronegativities affect application in optical devices. • Optical basicities Λ th exhibit increase acidity and support above results. Local structure and the effect of halide on MX∙M 2 O∙B 2 O 3 (M = Pb, Ba; X = F, Cl, Br) glasses doped with Cu2+ and VO2+ are investigated by means of the perturbation calculations of the spin Hamiltonian parameters (SHPs). Based on the fitted EPR results, [CuO 6 ]10− and [VO 6 ]8− clusters prefer to suffer the tetragonal elongation and compression distortions, respectively. Compare the ionic radius of Cu2+ with V4+ and Pb2+ with Ba2+ in MX∙M 2 O∙B 2 O 3 , the glasses with larger ionic radius of metal may induce larger tetragonal distortions and larger g anisotropies. The d-d transition bands show whole opposite trends for 3d9 and 3d1 impurities with the similar fluctuations due to the increase of non-bridging oxygen. The d-d transition bands and g factorsare are also analyzed from the electronegativities of incorporated halides. The values of basicities Λ th of BCBBV are found larger than PCPBC and PbX-PbO-B 2 O 3 glasses due to stronger ionicity of Ba than Pb. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09215107
- Volume :
- 271
- Database :
- Academic Search Index
- Journal :
- Materials Science & Engineering: B
- Publication Type :
- Academic Journal
- Accession number :
- 151556790
- Full Text :
- https://doi.org/10.1016/j.mseb.2021.115245