Raman scattering from deuterated potassium dihydrogen phosphate crystals

• Published in: Materials chemistry and physics 2005, Vol.90 (1), p.134-138
• Main Authors: Liu, W.L., Xia, H.R., Wang, X.Q., Han, H., Lu, G.W.
• Format: Article
• Language: English
• Subjects: Crystal structure; Optical materials; Raman spectroscopy and scattering
• ISSN: 0254-0584; 1879-3312
• DOI: 10.1016/j.matchemphys.2004.10.035

The normal vibration modes of deuterated potassium dihydrogen phosphate (DKDP) crystals were analyzed basing on the space group theory. The lattice vibration spectra of DKDP, which arise mainly from internal vibrations of P–O tetrahedrons, were recorded by a micro-Raman spectrophotometer system. The four characteristic internal vibration modes of the D 2PO 4 anion in KD 2PO 4 are assigned as 880 cm −1 ( υ 1 , asymmetrical P(OD) 2 stretching vibration), 356 cm −1 ( υ 2 , in-plane P(OD) 2 bending vibration), 512/540 cm −1 ( υ 3 , PO 2 bending vibration) and 967 cm −1 ( υ 4 , in-plane PO 2 symmetrical stretching vibration). Excellent agreement has been obtained between the theoretical studies and experimental investigations.