High-Pressure Structural Transitions of Sc2O3by X-ray Diffraction, Raman Spectra, and Ab Initio Calculations

2009 ◽  
Vol 48 (17) ◽  
pp. 8251-8256 ◽  
Author(s):  
Dan Liu ◽  
Weiwei Lei ◽  
Yinwei Li ◽  
Yanming Ma ◽  
Jian Hao ◽  
...  
Keyword(s):  
High Pressure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Structural Transitions ◽  
X Ray Diffraction ◽  
X Ray

High-pressure study of a nanostructured SnSe1−xSx (x = 0.5) solid solution by in-situ X-ray diffraction and ab-initio calculations

2019 ◽  
Vol 792 ◽  
pp. 536-542
Author(s):  
Larissa da Silva Marques ◽  
Joelma Maria de Oliveira Ferreira ◽  
Querem Hapuque Félix Rebelo ◽  
Angsula Ghosh ◽  
Daniela Menegon Trichês ◽  
...  
Keyword(s):  
Solid Solution ◽  
High Pressure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Pressure Study

High-pressure polymorphs of gadolinium orthovanadate: X-ray diffraction, Raman spectroscopy, and ab initio calculations

2019 ◽  
Vol 100 (6) ◽  
Author(s):  
T. Marqueño ◽  
D. Errandonea ◽  
J. Pellicer-Porres ◽  
D. Martinez-Garcia ◽  
D. Santamaria-Pérez ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
High Pressure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
X Ray Diffraction ◽  
X Ray

High-Pressure and High-Temperature Stability of Antifluorite Mg2C by in Situ X-ray Diffraction and ab Initio Calculations

2014 ◽  
Vol 118 (15) ◽  
pp. 8128-8133 ◽  
Author(s):  
Oleksandr O. Kurakevych ◽  
Yann Le Godec ◽  
Timothy A. Strobel ◽  
Duck Young Kim ◽  
Wilson A. Crichton ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Temperature Stability ◽  
High Temperature Stability ◽  
X Ray Diffraction ◽  
X Ray

Experimental electron density study of 1,2,4-triazole at 15 K. A comparison with ab initio-calculations

1997 ◽  
Vol 212 (3) ◽  
Author(s):  
P. Fuhrmann ◽  
T. Koritsánszky ◽  
P. Luger
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electron Density ◽  
Diffraction Data ◽  
Topological Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Experimental Electron Density ◽  
Density Study

AbstractTopological properties and the Laplacian function of the electron density of 1,2,4-triazole have been determined from X-ray diffraction data collected at 15 K. 1,2,4-Triazole, C

scholarly journals High-pressure x-ray diffraction and Raman spectra study of indium oxide

2008 ◽  
Vol 104 (8) ◽  
pp. 083506 ◽  
Author(s):  
D. Liu ◽  
W. W. Lei ◽  
B. Zou ◽  
S. D. Yu ◽  
J. Hao ◽  
...  
Keyword(s):  
High Pressure ◽  
Raman Spectra ◽  
Indium Oxide ◽  
X Ray Diffraction ◽  
X Ray
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