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Lattice dynamic investigation of the zone center wavenumbers of the cubic A 2 Ti 2 O 7 pyrochlores
Author(s) -
Gupta H. C.,
Brown Sonal,
Rani Neelima,
Gohel V. B.
Publication year - 2001
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/1097-4555(200101)32:1<41::aid-jrs664>3.0.co;2-r
Subject(s) - raman spectroscopy , wavenumber , cubic crystal system , lattice (music) , condensed matter physics , materials science , crystallography , physics , chemistry , optics , acoustics
A short‐range force constant model was applied for the first time to investigate the phonons in A 2 Ti 2 O 7 (A = Y, Sm, Gd, Yb) pyrochlores in their cubic phase of space group Fd 3 m . The calculations of phonons were made with five stretching and four bending force constants. The calculated values of Raman and infrared wavenumbers are in good agreement with the observed values. Copyright © 2001 John Wiley & Sons, Ltd.