Temperature-Dependent Vibrational Modes in Sodium Nitrite

1968 ◽  
Vol 174 (3) ◽  
pp. 946-952 ◽  
Author(s):  
M. K. Barnoski ◽  
J. M. Ballantyne
1995 ◽  
Vol 398 ◽  
Author(s):  
A.R. Guo ◽  
C.-S. Tu ◽  
Ruiwu Tao ◽  
R.S. Katiyar ◽  
Ruyan Guo ◽  
...  

ABSTRACTThe longitudinal (LO) and transverse (TO) A1 vibrational modes have been measured between 30-1200 cm−1 as a function of temperature (30–1240 K) for CsTiOAsO4 (CTA). The frequencies for all corresponding Raman components shifted to lower frequencies on increasing the temperature, however, there is no typical soft-mode like behavior observed in the measured frequency range. The relative intensities of the low frequency bands increase dramatically with increasing temperature due to high mobility of Cs+ ion. A higher symmetry structure taking place above 940K has been confirmed by changes in the phonon spectra.


1998 ◽  
Vol 52 (6) ◽  
pp. 847-850 ◽  
Author(s):  
Lei He ◽  
Zhen Yin ◽  
Ming-Sheng Zhang ◽  
Ze-Xiang Shen ◽  
Hui-Fen Chen

Raman spectra of ferroelectric liquid crystal (FLC) D-4-(2-methylbutoxy) phenyl 4-decyloxybenzoate (MBOPDOB) are recorded. All the vibrational modes are assigned, and their vibrational characteristics are studied. It is found that the s-cis and the s-trans conformers of the ester group coexist in the crystal phase at room temperature. By temperature-dependent measurements, the line shape changes due to the transition of the ester group conformation near the crystal-Sm C phase transition point are examined.


Materials ◽  
2020 ◽  
Vol 13 (23) ◽  
pp. 5453
Author(s):  
Min Wang ◽  
Changhao Wang ◽  
Jian Wang ◽  
Liming Lu ◽  
Xiaoye Gong ◽  
...  

In situ high-temperature Raman spectra of polycrystalline KBi(MoO4)2 were recorded from room temperature to 1073 K. Thermal stability of the monoclinic KBi(MoO4)2 was examined by temperature-dependent XRD. The monoclinic phase transformed into the scheelite tetragonal structure at 833 K, and then to the monoclinic phase at 773 K. Quantum chemistry ab initio calculation was performed to simulate the Raman spectra of the structure of KBi(MoO4)2 high-temperature melt. The experimental Raman band at 1023 K was deconvoluted into seven Gaussian peaks, and the calculated results were in good agreement with the experimental data. Therefore, the vibrational modes of Raman peaks of molten KBi(MoO4)2 were assigned. It was confirmed that the isolated structure of [Bi(MoO4)2]− monomer, consisting of Mo6+ centers and Bi3+ sub-centers connected by edge-sharing, mainly exists in the melt of KBi(MoO4)2.


1998 ◽  
Vol 513 ◽  
Author(s):  
M. D. Mccluskey

ABSTRACTLocal vibrational mode (LVM) spectroscopy of hydrogen and deuterium in GaP, AlSb, ZnSe, and GaN has provided important information about the structures of dopanthydrogen complexes and their interaction with the host lattice. In GaN:Mg, for example, hydrogen binds to a host nitrogen which is adjacent to the magnesium acceptor. In GaP and ZnSe, it has been demonstrated that the temperature dependent shifts of LVM's are proportional to the lattice thermal energy, a consequence of the anharmonic coupling of the local mode to acoustical phonons.Large hydrostatic pressures have been applied to semiconductors to probe the vibrational properties of hydrogen-related complexes. In GaAs, the pressure dependent shifts of the 12C-H and 13C-H stretch modes have positive curvatures, while the shift of the S-H stretch mode has a negative curvature. This may be related to the fact that in the bond-centered C-H complex, the hydrogen is compressed between the carbon acceptor and one gallium host atom, whereas in the S-H complex, the hydrogen occupies an interstitial position and is not crowded by neighboring atoms. If these trends are general, then hydrostatic pressure may be a powerful tool in determining the position of the hydrogen atom(s) in a complex.In AISb. pressure was utilized to resolve a mystery as to why the Se-D complex gives rise to one stretch mode peak while the Se-H stretch mode splits into three peaks. This anomalous splitting is explained in terms of a new resonant interaction between the stretch mode and combination modes involving a wag mode harmonic and extended lattice phonons. The interaction gives rise to vibrational modes with both localized and extended components. When the temperature or hydrostatic pressure is varied, the modes exhibit anti-crossing behavior.


1992 ◽  
Vol 293 ◽  
Author(s):  
Gary P. Wiederrecht ◽  
T. P. Dougherty ◽  
L. Dhar ◽  
K. A. Nelson

AbstractTime resolved impulsive stimulated Raman scattering (ISRS) is used to characterize the lowest frequency A1 phonon-polariton mode in lithium tantalate. The anomalously high and wavevector-dependent damping rates observed are explained in terms of coupling of the polariton to a weakly Raman-active relaxational mode and to two heavily damped vibrational modes. The dynamics of the relaxational mode are explored further through temperature dependent ISRS studies. Femtosecond optical pulse shaping is used for multiple pulse ISRS at temperatures lower than 120K where single pulse excitation led to photorefractive damage.


1972 ◽  
Vol 5 (1) ◽  
pp. 79-91 ◽  
Author(s):  
C. M. Hartwig ◽  
E. Wiener-Avnear ◽  
S. P. S. Porto

1997 ◽  
Vol 30 (3) ◽  
pp. 567-574 ◽  
Author(s):  
Yun-Cheng Ge ◽  
Li-Xia Li ◽  
Chao-Zhong Zhao

2014 ◽  
Vol 16 (33) ◽  
pp. 17634-17639 ◽  
Author(s):  
Ben Xu ◽  
Kristin M. Poduska

Crystal structure packing arrangements could provide a generalizable approach to track either temperature-dependent or crystallinity-related effects in IR-active solids.


2020 ◽  
Vol 26 (2) ◽  
pp. 21-31
Author(s):  
Md Khorshed Alam ◽  
Md Saif Ishtiaque ◽  
Md Imran Hossain ◽  
Hiromitsu Takaba

Terahertz (THz) absorption spectra of poly 3-hydroxyalkanoates (PHB) for different conformations were investigated using molecular dynamics (MD) method. Temperature-dependent THz absorption spectra of PHB were measured over a temperature range of 10 K to 200 K. Peaks around (2.4-2.6THz) and (3.1-3.2THz) were observed due to vibrational transition of PHB, 1stpeaks are polarized perpendicular to c(┴)axis (along a, b axis) and next peaks are oriented parallel to the c(//) axis. The peak around (2.4-2.6THz) was assigned due to vibrational transition of PHB and C-H…O=C hydrogen bonds are oriented perpendicular to the c(┴) axis. We have also investigated orientation of the intermolecular hydrogen bonds by MD simulation and confirmed that it was mainly along the b axis of PHB. THz absorption spectra shifted to the lower frequencies and noticed widening of the absorption peaks that visualized from characteristics of peaks within creasing temperature, which is well reproduce of experimental observation. Bangladesh Journal of Physics, 26(2), 21-31, December 2019


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