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Lattice dynamics, phase transitions and hydrogen effective charges of betaine phosphite: a comparison with betaine phosphate and their deuterated analogues

Title
Lattice dynamics, phase transitions and hydrogen effective charges of betaine phosphite: a comparison with betaine phosphate and their deuterated analogues
Type
Article in International Scientific Journal
Year
1998
Authors
Santos, ML
(Author)
FCUP
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Almeida, A
(Author)
FCUP
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Moreira, JA
(Author)
Other
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Chaves, MR
(Author)
FCUP
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Klopperpieper, A
(Author)
Other
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Gervais, F
(Author)
Other
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Journal
Vol. 10
Pages: 6147-6169
ISSN: 0953-8984
Scientific classification
FOS: Natural sciences > Physical sciences
Other information
Authenticus ID: P-001-7FR
Abstract (EN): The temperature dependence of complete infrared reflection spectra of a betaine phosphite single crystal is reported for the polarizations parallel to a and b axes in the wavenumber range from 10 to 5000 cm(-1). They are compared with previous data that were limited to the range 10-600 cm(-1). They are also compared with reflectivity spectra of betaine phosphate, betaine arsenate, deuterated betaine phosphite single crystals and betaine compressed powder. These comparisons allow a mode assignment. Spectra were fitted with the factorized form of the dielectric function. The role of phonons in the behaviour of the dielectric constant in the vicinity of the ferroelectric (FE)-paraelectric (PE) phase transition is discussed. The decrease of effective charges along the FE axis below the FE-PE phase transition is assigned to an increase of oxygen-hydrogen electronic orbital hybridization related to the change of average bond-length.
Language: English
Type (Professor's evaluation): Scientific
No. of pages: 23
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