scholarly journals Vibrational properties of isotopically enriched materials: the case of calcite

RSC Advances ◽  
2018 ◽  
Vol 8 (59) ◽  
pp. 33985-33992
Author(s):  
Ben Xu ◽  
Anna Hirsch ◽  
Leeor Kronik ◽  
Kristin M. Poduska
Keyword(s):  
Infrared Spectra ◽  
Vibrational Properties ◽  
Isotopic Enrichment ◽  
Low Levels

Isotopic enrichment in calcite, even at relatively low levels, can produce surprising changes to infrared spectra.

First-Principles Study of Structural and Vibrational Properties of α-SiO2 under Pressure

2015 ◽  
Vol 775 ◽  
pp. 191-196
Author(s):  
Xiao Wei Lei ◽  
Yong Song ◽  
Kuo Yang ◽  
Hui Zhao
Keyword(s):  
High Pressure ◽  
Perturbation Theory ◽  
Infrared Spectra ◽  
First Principles ◽  
Linear Response ◽  
Density Functional ◽  
Vibrational Properties ◽  
Vibrational Modes ◽  
Density Functional Perturbation Theory ◽  
Good Agreement

Using first principles approach, we present the structural, vibrational and dielectric properties of α-SiO2. The calculations have been carried out within the density functional perturbation theory and linear response formalism using the norm-concerving pseudopotentials and a plane wave basis. All the vibrational modes identified are in good agreement with experiment. The calculated infrared spectra are also in good agreement with available experimental results both for the positions and the intensities of the main peaks. We find that the modes Eu7 and A2u4 splits in two respectively at high hydrostaticpressures. Then we calculate the infrared spectra under high pressure of different orientations. The vibrational modes in different phase transitions are reported and discussed respectively.

Schwingungsspektroskopische Untersuchung einiger gemischter Calcium/Cadmium-Hydroxylapatite / Vibrational-Spectroscopic Investigation on Some Mixed Calcium/Cadmium-Hydroxylapatites

1990 ◽  
Vol 45 (8) ◽  
pp. 1133-1135 ◽  
Author(s):  
G. E. Narda ◽  
J. C. Pedregosa ◽  
S. B. Etcheverry ◽  
E. J. Baran
Keyword(s):  
Raman Spectroscopy ◽  
Infrared Spectra ◽  
Linear Dependence ◽  
Spectroscopic Investigation ◽  
Vibrational Properties ◽  
Vibrational Modes ◽  
Complex Behaviour

The infrared spectra of a series of cadmium substituted calcium hydroxylapatites of the type Ca10-xCdx(PO4)6(OH)2, were investigated in order to obtain insight on the effect of the Cd(II) ion on the vibrational properties of the PO43- and OH- groups. The effect of the substitutional process on the strength of the P–O bonds was also checked by Raman Spectroscopy and an analysis of the behaviour of the deuterated Ca5Cd5(PO4)6(OD)2 phase was undertaken. The strength of the P–O bonds shows a linear dependence on the Cd(II) content, whereas the OH-vibrational modes present a more complex behaviour.

Many Migraineurs Have Low Levels of Vitamin D

2008 ◽  
Vol 41 (18) ◽  
pp. 16
Author(s):  
DIANA MAHONEY
Keyword(s):  
Vitamin D ◽  
Low Levels

Thermal and vibrational properties of silica xerogels

1998 ◽  
Vol 77 (2) ◽  
pp. 333-340 ◽  
Author(s):  
A. Fontana, F. Rossi, G. Carini, G. D'
Keyword(s):  
Vibrational Properties ◽  
Silica Xerogels
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