NDLI: Deriving the magnitude of niobium off-center displacement in ferroelectric niobates from infrared spectroscopy

Content Provider	Springer Nature Link
Author	Lanfredi, S. Brito, I. A. O. Polini, C. bre, M. A. L.
Copyright Year	2012
Abstract	A KSr$_{2}$Nb$_{5}$O$_{15}$ nanopowder was synthesized by a chemical route based on a modified polyol method. The nanopowder exhibits the space group P4bm (ferroelectric) ascribed to the displacement of Nb from the central position of an [NbO$_{6}$] octahedron, parallel to the c-axis (polarization axis). The magnitude of the niobium off-center, ∆z, was determined by X-ray diffraction and mid-infrared spectroscopy (FTIR). Analysis of the infrared spectrum carried out using curve fitting based on Gaussian functions has revealed a very strong vibration at 413 cm$^{–1}$, ascribed to a bond of the Nb off-center with apical oxygen. A classical molecular theory was applied to derive the force constant of this bond from the vibrational frequency. Using the calculus of energies for the wavelength and the harmonic oscillator, we alternatively derived the ∆z parameter.
Starting Page	254
Ending Page	260
Page Count	7
File Format	PDF
ISSN	00219037
Journal	Journal of Applied Spectroscopy
Volume Number	79
Issue Number	2
e-ISSN	15738647
Language	English
Publisher	Springer US
Publisher Date	2012-06-13
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	ferroelectric niobate mid-infrared spectroscopy force constant niobium off-center Atomic/Molecular Structure and Spectra Analytical Chemistry
Content Type	Text
Resource Type	Article
Subject	Spectroscopy Condensed Matter Physics

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