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Title: | Linear optical susceptibilities of the oxoborate (Pb 3O) 2(BO 3) 2WO 4: Theory and experiment |
Authors: | Ali Hussain, Reshak, Prof. Dr. Xuean, Chen Auluck, Sushil, Dr. Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. maalidph@yahoo.co.uk xueanchen@bjut.edu.cn sauluck@iitk.ac.in kamarudin@unimap.edu.my |
Keywords: | Linear optical Oxoborate Atomic positions Excitation light |
Issue Date: | Aug-2012 |
Publisher: | Springer Science+Business Media |
Citation: | Journal of Materials Science, vol. 47(15), 2012, pages 5794-5800 |
Abstract: | The optical susceptibilities have been investigated experimentally and theoretically for a newly synthesized oxoborate, (Pb 3O) 2(BO 3) 2WO 4. The crystal structure is composed of one-dimensional 1 ∞ [Pb 3O] 4+ chains formed by corner-sharing OPb 4 tetrahedra. BO 3 and WO 4 groups are located around the chains to hold them together via Pb-O bonds. The solid-state fluorescence spectrum exhibited a maximum emission peak at around 375.2 nm with excitation light of 280 nm. UV-Vis diffuse reflectance spectra showed a band gap of about 2.9 eV which compares well with our theoretical band gap of about 2.3 eV obtained using the local density approximation and 2.6 eV using the Engel-Vosko's generalized gradient approximation.We have optimized the atomic positions starting from our X-ray diffraction data so as to minimize the forces on each atom.Aremarkable finding is that this crystal possesses a weak anisotropy among three components of the frequency-dependent dielectric function and a small positive birefringence. This indicates that the oxoborate, (Pb 3O) 2(BO 3) 2WO 4, cannot be used to produce second harmonic generation (SHG) and optical parametric oscillation. |
Description: | Link to publisher's homepage at http://link.springer.com/ |
URI: | http://link.springer.com/article/10.1007%2Fs10853-012-6476-1 http://dspace.unimap.edu.my:80/dspace/handle/123456789/31180 |
ISSN: | 0022-2461 |
Appears in Collections: | School of Materials Engineering (Articles) Kamarudin Hussin, Brig. Jen. Datuk Prof. Dr. |
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Linear optical susceptibilities of the oxoborate (Pb 3O) 2(BO 3)2WO 4- Theory and experiment.pdf | 19.38 kB | Adobe PDF | View/Open |
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