The correlation between the phase transitions and vibrational properties by Raman spectroscopy: liquid–solid β and solid β–solid α acetonitrile transitions

2001 ◽  
Vol 265 (2) ◽  
pp. 177-191 ◽  
Author(s):  
H. Abramczyk ◽  
K. Paradowska-Moszkowska
Keyword(s):  
Raman Spectroscopy ◽  
Phase Transitions ◽  
Vibrational Properties

On the nature of the phase transitions of aluminosilicate perrhenate sodalite

2020 ◽  
Vol 235 (6-7) ◽  
pp. 213-223
Author(s):  
Hilke Petersen ◽  
Lars Robben ◽  
Thorsten M. Gesing
Keyword(s):  
Raman Spectroscopy ◽  
Phase Transitions ◽  
Decomposition Temperature ◽  
Second Phase ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Two Phase ◽  
Structure Property Relationships ◽  
Heat Capacity Measurements

AbstractThe temperature-dependent structure-property relationships of the aluminosilicate perrhenate sodalite |Na8(ReO4)2|[AlSiO4]6 (ReO4-SOD) were analysed via powder X-ray diffraction (PXRD), Raman spectroscopy and heat capacity measurements. ReO4-SOD shows two phase transitions in the investigated temperature range (13 K < T < 1480 K). The first one at 218.6(1) K is correlated to the transition of dynamically ordered $P\overline{4}3n$ (> 218.6(1 K) to a statically disordered (<218.6(1) K) SOD template in $P\overline{4}3n$. The loss of the dynamics of the template anion during cooling causes an increase of disorder, indicated by an unusual intensity decrease of the 011-reflection and an increase of the Re-O2 bond length with decreasing temperature. Additionally, Raman spectroscopy shows a distortion of the ReO4 anion. Upon heating the thermal expansion of the sodalite cage originated in the tilt-mechanism causes the second phase transition at 442(1) K resulting in a symmetry-increase from $P\overline{4}3n$ to $Pm\overline{3}n$, the structure with the sodalites full framework expansion. Noteworthy is the high decomposition temperature of 1320(10) K.

Phase transitions in PbZr0.72Sn0.28O3 single crystals studied by Raman spectroscopy

2016 ◽  
Vol 89 (7-8) ◽  
pp. 768-776 ◽  
Author(s):  
Irena Jankowska-Sumara ◽  
Min-Seok Jeong ◽  
Jae-Hyeon Ko ◽  
Andrzej Majchrowski ◽  
Józef Żmija
Keyword(s):  
Raman Spectroscopy ◽  
Phase Transitions ◽  
Single Crystals

Pseudopotential Calculations of Structural Properties of Solids

1985 ◽  
Vol 63 ◽  
Author(s):  
Marvin L. Cohen
Keyword(s):  
Phase Transitions ◽  
Structural Phase ◽  
Vibrational Properties ◽  
Structural Phase Transitions ◽  
Superconducting Properties ◽  
Lattice Constants ◽  
Pseudopotential Calculations ◽  
Pseudopotential Approach ◽  
Cohesive Energies

ABSTRACTThrough the development of a total energy pseudopotential approach, it has become possible to compute structural, electronic, and vibrational properties of solids using only the atomic numbers and atomic masses of the constituent atoms as input. The method has been applied to semiconductors, insulators, and metals; and agreement with experiment for most properties is usually within a few percent.Applications include the determination of lattice constants for specific structural phases, properties of structural phase transitions, cohesive energies, bulk moduli, lattice vibrational spectra, electron-lattice interaction parameters, and electronic and superconducting properties. A recent example is the prediction of superconductivity in highly condensed hexagonal silicon which was subsequently found experimentally.

Vibrational properties of carbon nitride films by Raman spectroscopy

1998 ◽  
Vol 332 (1-2) ◽  
pp. 62-68 ◽  
Author(s):  
A.K.M.S. Chowdhury ◽  
D.C. Cameron ◽  
M.S.J. Hashmi
Keyword(s):  
Raman Spectroscopy ◽  
Carbon Nitride ◽  
Vibrational Properties

scholarly journals Scanning tunneling microscopy and Raman spectroscopy of polymeric sp–sp2 carbon atomic wires synthesized on the Au(111) surface

Nanoscale ◽  
2019 ◽  
Vol 11 (39) ◽  
pp. 18191-18200 ◽  
Author(s):  
Andi Rabia ◽  
Francesco Tumino ◽  
Alberto Milani ◽  
Valeria Russo ◽  
Andrea Li Bassi ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Scanning Tunneling Microscopy ◽  
Scanning Tunneling ◽  
Vibrational Properties ◽  
Tunneling Microscopy ◽  
Atomic Wires

The structure and electronic and vibrational properties of sp–sp2 carbon atomic wires have been investigated by combined STM/STS and Raman spectroscopy.

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