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Browse Journals & Magazines > Journal of Applied Physics ...> Volume:104 Issue:3 Help

Assignment of Raman-active vibrational modes of MgTiO3

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4 Author(s)
Wang, Chun-Hai ; Beijing National Laboratory for Molecular Sciences, The State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, People’s Republic of China ; Jing, Xi-Ping ; Feng, Wei ; Jing Lu

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MgTiO3 ceramic sample was synthesized and its Raman spectra were recorded. The Raman-active vibrational modes of MgTiO3 were calculated using first-principle calculations (density functional theory). Based on experimental data and calculation results, the Raman peaks were assigned as 225 cm-1 (Ag), 306 cm-1 (Ag), 398 cm-1 (Ag), 500 cm-1 (Ag), 715 cm-1 (Ag) and 281 cm-1 (Eg), 328 cm-1 (Eg), 353 cm-1 (Eg), 486 cm-1 (Eg), 641 cm-1 (Eg). The assignment was supported by the polarized Raman spectrum. Meanwhile, the symmetry coordinates of MgTiO3 primitive cell were analyzed and employed to expand the Raman-active modes.

Published in:
Journal of Applied Physics  (Volume:104 ,  Issue: 3 )

Date of Publication: Aug 2008

Page(s):
034112 - 034112-6
ISSN :
0021-8979
Digital Object Identifier :
10.1063/1.2966717
Product Type:
Journals & Magazines
Date of Current Version :
18 June 2009
Issue Date :
Aug 2008

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