Local structure determination of the nonlinear optical material LiNbO3 using XRD

✍ Scribed by Saravanan, R. ;Thirumalaisamy, T. K. ;Kajitani, T.

• Book ID: 105366550
• Publisher: John Wiley and Sons
• Year: 2011
• Tongue: English
• Weight: 819 KB
• Volume: 208
• Category: Article
• ISSN: 0031-8965
• DOI: 10.1002/pssa.201127184

✦ Synopsis

Abstract

The ultimate crystal and electronic structure will give complete information of nonlinear materials for their potential applications. The electron density distribution and local structure of the nonlinear optical material LiNbO~3~ have been studied and analyzed. Powder X‐ray data of LiNbO~3~ is analyzed in terms of local structure. The bonding between the atoms has been studied using maximum entropy method and the bond‐length distribution using pair distribution function. The three‐dimensional, two‐dimensional electron density maps, and one‐dimensional electron density profiles have been constructed and analyzed. The particle size of LiNbO~3~ has been analyzed using X‐ray diffractometer and SEM. The band gap energy has also been calculated using UV–visible absorption spectra.