Structural transformation yielding an unusual metallic state in liquidAs2S3under high pressure

2010 ◽  
Vol 82 (14) ◽  
Author(s):  
V. V. Brazhkin ◽  
Y. Katayama ◽  
M. V. Kondrin ◽  
A. G. Lyapin ◽  
H. Saitoh
Keyword(s):  
High Pressure ◽  
Structural Transformation ◽  
Metallic State

Structure analysis of high-pressure metallic state of iodine

1978 ◽  
Vol 18 (2) ◽  
pp. 715-719 ◽  
Author(s):  
C. Shimomura ◽  
K. Takemura ◽  
Y. Fujii ◽  
S. Minomura ◽  
M. Mori ◽  
...  
Keyword(s):  
High Pressure ◽  
Structure Analysis ◽  
Metallic State

scholarly journals High pressure polymorphism of β-TaON

2014 ◽  
Vol 43 (25) ◽  
pp. 9647-9654 ◽  
Author(s):  
K. Woodhead ◽  
S. Pascarelli ◽  
A. L. Hector ◽  
R. Briggs ◽  
N. Alderman ◽  
...  
Keyword(s):  
High Pressure ◽  
Raman Scattering ◽  
Ambient Temperature ◽  
Structural Transformation ◽  
Absorption Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pressure Behavior ◽  
Diamond Anvil ◽  
X Ray Absorption

The high pressure behavior of TaON was studied using a combination of Raman scattering, synchrotron X-ray diffraction, and X-ray absorption spectroscopy in diamond anvil cells to 70 GPa at ambient temperature to reveal evidence for a new structural transformation near 30 GPa.

Structural transformation in LaGa2under high pressure

2011 ◽  
Vol 91 (2) ◽  
pp. 103-109 ◽  
Author(s):  
M. Sekar ◽  
N.R. Sanjay Kumar ◽  
N.V. Chandra Shekar ◽  
D. Sornadurai ◽  
P.Ch. Sahu
Keyword(s):  
High Pressure ◽  
Structural Transformation

Theoretical studies on the structure and properties of DAT/BTNAT cocrystal under high pressure

2020 ◽  
Vol 98 (3) ◽  
pp. 128-133
Author(s):  
Liangyu Li ◽  
Weihua Zhu
Keyword(s):  
High Pressure ◽  
Structural Transformation ◽  
Density Functional ◽  
Hydrostatic Compression ◽  
Theoretical Studies ◽  
Dispersion Correction ◽  
Structure And Properties ◽  
Absorption Properties ◽  
Functional Theory ◽  
The Stability

The structural, electronic, and absorption properties of 3,5-diamino-1H-1,2,4-triazole (DAT) and 5,5′-bis(trinitromethyl)-3,3′-azo-1H-1,2,4-triazole (BTNAT) cocrystal under hydrostatic compression of 0–100 GPa were investigated by using periodic density functional theory with dispersion correction (DFT-D). The results indicate that a structural transformation occurred at 25 GPa. The structural transformation makes the positions of the molecules rearrange in the cocrystal and improves the stability and planarity. An analysis of the band gap and density of states indicates that the DAT/BTNAT cocrystal becomes more sensitive under compression. The absorption spectra illustrate that the DAT/BTNAT cocrystal has relatively high optical activity with the increasing pressure. Our work may offer some valuable information for understanding the behavior of energetic cocrystals under high pressure.

Cubic to hexagonal structural transformation in Gd2O3at high pressure

2008 ◽  
Vol 88 (7) ◽  
pp. 473-479 ◽  
Author(s):  
Dayana Lonappan ◽  
N.V. Chandra Shekar ◽  
P.Ch. Sahu ◽  
B.V. Kumarasamy ◽  
A.K. Bandyopadhyay ◽  
...  
Keyword(s):  
High Pressure ◽  
Structural Transformation

Investigation of electronic and vibrational properties of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate under high-pressure conditions

2021 ◽  
Vol 23 (12) ◽  
pp. 7442-7448
Author(s):  
Junyu Fan ◽  
Yan Su ◽  
Jijun Zhao
Keyword(s):  
High Pressure ◽  
Hydrogen Bonds ◽  
Electronic Properties ◽  
Structural Transformation ◽  
Vibrational Properties ◽  
Intermolecular Hydrogen Bonds

The vibrational and electronic properties of TKX-50 reveal the enhanced intermolecular hydrogen bonds cause the change of intramolecular geometry of TKX-50, thereby triggering possible structural transformation.

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