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1.
J Chem Phys ; 139(14): 144308, 2013 Oct 14.
Artigo em Inglês | MEDLINE | ID: mdl-24116620

RESUMO

Both the vibrational and structural properties of coronene have been investigated upon compression up to 30.5 GPa at room temperature by a combination of Raman scattering and synchrotron x-ray diffraction measurements. The spectroscopic and crystallographic results demonstrate that two pressure-induced structural phase transitions take place at 1.5 GPa and 12.2 GPa where the high-pressure phases are identified as monoclinic and orthorhombic crystal structures with space groups of P2/m and Pmmm, respectively. A kink in the slope of the cell parameters as a function of pressure is associated with the disappearance of several internal Raman modes, which suggests the existence of structural distortions or reorganizations at approximately 6.0 GPa. Above 17.1 GPa, almost no evidence of crystallinity can be observed, indicating a possible transformation of coronene into an amorphous phase.

2.
J Chem Phys ; 139(10): 104302, 2013 Sep 14.
Artigo em Inglês | MEDLINE | ID: mdl-24050339

RESUMO

The structural and vibrational properties of phenanthrene are measured at high pressures up to 30.2 GPa by Raman spectroscopy and synchrotron X-ray diffraction techniques. Two phase transitions are observed in the Raman spectra at pressures of 2.3 GPa and 5.4 GPa which correspond to significant changes of intermolecular and intramolecular vibrational modes. Above 10.2 GPa, all the Raman peaks are lost within the fluorescence background; however, upon further compression above 20.0 GPa, three broad peaks are observed at 1600, 2993, and 3181 cm(-1), indicating that phenanthrene has transformed into amorphous phase. Using X-ray diffraction, the structures of corresponding phases observed from Raman spectra are indexed with space groups of P2(1) for phase I (0-2.2 GPa), P2/m for phase II (2.2-5.6 GPa), P2/m+Pmmm for phase III (5.6-11.4 GPa) which has a coexistence of structures, and above 11.4 GPa the structure is indexed with space group of Pmmm. Although phenanthrene has transformed to a hydrogenated amorphous carbon structure above 20.0 GPa, these amorphous clusters still show characteristic crystalline behavior based on our X-ray diffraction patterns. Our results suggest that the long-range periodicity and the local disorder state coexist in phenanthrene at high pressures.

3.
J Phys Condens Matter ; 25(36): 365401, 2013 Sep 11.
Artigo em Inglês | MEDLINE | ID: mdl-23925041

RESUMO

The structural and vibrational properties of 5% Y-substituted BiFeO3 under pressure have been investigated using synchrotron x-ray diffraction (SXRD) and Raman scattering measurements. At a pressure below 30.3 GPa, distinct changes in the Raman spectra and SRXD pattern show evidence for one pressure-induced structural transition from the polar rhombohedral R3c phase to the nonpolar orthorhombic Pnma phase commencing at 3.6 and completed at 7.2 GPa, where there is a region of phase coexistence between the R3c and Pnma phases. At a higher pressure of 40.8 GPa, another phase transition from orthorhombic to cubic is observed accompanied by the insulator-metal transition. Our data do not suggest the pressure-induced re-entrance of ferroelectricity in the model multiferroic Bi0.95Fe0.05O3 in the pressure range studied.

4.
J Chem Phys ; 138(2): 024307, 2013 Jan 14.
Artigo em Inglês | MEDLINE | ID: mdl-23320683

RESUMO

The vibrational and structural properties of a hydrogen-rich group IVa hydride, Sn(CH(3))(4), have been investigated by combining Raman spectroscopy and synchrotron x-ray diffraction measurements at room temperature and at pressures up to 49.9 GPa. Both techniques allow the obtaining of complementary information on the high-pressure behaviors and yield consistent phase transitions at 0.9 GPa for the liquid to solid and 2.8, 10.4, 20.4, and 32.6 GPa for the solid to solid. The foregoing solid phases are identified to have the orthorhombic, tetragonal, monoclinic crystal structures with space groups of Pmmm for phase I, P4/mmm for phase II, P2/m for phase III, respectively. The phases IV and V coexist with phase III, resulting in complex analysis on the possible structures. These transitions suggest the variation in the inter- and intra-molecular bonding of this compound.

5.
J Chem Phys ; 136(2): 024503, 2012 Jan 14.
Artigo em Inglês | MEDLINE | ID: mdl-22260599

RESUMO

High-pressure behavior of tetramethylsilane, one of the Group IVa hydrides, was investigated by Raman scattering measurements at pressures up to 142 GPa and room temperature. Our results revealed the phase transitions at 0.6, 9, and 16 GPa from both the mode frequency shifts with pressure and the changes of the full width half maxima of these modes. These transitions were suggested to result from the changes in the inter- and intra-molecular bonding of this material. We also observed two other possible phase transitions at 49-69 GPa and 96 GPa. No indication of metallization in tetramethylsilane was found with stepwise compression to 142 GPa.


Assuntos
Pressão , Compostos de Trimetilsilil/química , Análise Espectral Raman
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