Strain induced electronic transition in 1T' MoTe2: high pressure Raman, x-ray diffraction, resistivity measurements and first principles theoretical studies

2021 ◽  
Author(s):  
Bishnupada Ghosh ◽  
Pinku Saha ◽  
Bidisha Mukherjee ◽  
Debabrata Samanta ◽  
Gaurav Shukla ◽  
...  
Keyword(s):  
High Pressure ◽  
First Principles ◽  
Electronic Transition ◽  
Theoretical Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Resistivity Measurements

scholarly journals Crystal Structures of Al2Cu Revisited: Understanding Existing Phases and Exploring Other Potential Phases

Metals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 1037 ◽  
Author(s):  
Sai Wang ◽  
Changzeng Fan
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Single Crystal ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Relationships ◽  
Al2cu Phase ◽  
High Pressure Sintering

When processing single crystal X-ray diffraction datasets for twins of Al2Cu sample synthesized by the high-pressure sintering (HPS) method, we have clarified why the crystal structure of Al2Cu was incorrectly solved about a century ago. The structural relationships between all existing Al2Cu phases, including the Owen-, θ-, θ’-, and Ω-Al2Cu phases, were investigated and established based on a proposed pseudo Al2Cu phase. Two potential phases have been built up by adjusting the packing sequences of A/B layers of Al atoms that were inherent in all existing Al2Cu phases. The mechanical, thermal, and dynamical stability of two such novel phases and their electronic properties were investigated by first-principles calculations.

X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride

2001 ◽  
Vol 64 (13) ◽  
Author(s):  
J. Haines ◽  
J. M. Léger ◽  
F. Gorelli ◽  
D. D. Klug ◽  
J. S. Tse ◽  
...  
Keyword(s):  
High Pressure ◽  
Phase Transitions ◽  
Magnesium Fluoride ◽  
Theoretical Studies ◽  
X Ray Diffraction ◽  
X Ray

Study of Phase Transformation in BaTe2O6 by in Situ High-Pressure X-ray Diffraction, Raman Spectroscopy, and First-Principles Calculations

2015 ◽  
Vol 55 (1) ◽  
pp. 227-238 ◽  
Author(s):  
K. K. Mishra ◽  
S. Nagabhusan Achary ◽  
Sharat Chandra ◽  
T. R. Ravindran ◽  
K. K. Pandey ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
High Pressure ◽  
Phase Transformation ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray

High pressure single crystal X-ray diffraction study on α-quartz

1999 ◽  
Vol 214 (6) ◽  
Author(s):  
J. Kim-Zajonz ◽  
S. Werner ◽  
H. Schulz
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
The Other ◽  
Data Sets ◽  
Theoretical Studies ◽  
Intensity Data ◽  
X Ray Diffraction ◽  
Pressure Derivative ◽  
X Ray ◽  
Murnaghan Equation

AbstractSingle crystal X-ray diffraction experiments onVolumina of the unit cell were determined to 13.1 GPa, by combining the data with data taken from the literature; the bulk modulus and pressure derivative calculate to 38.7(3) GPa and 5.2(1) respectively according to a Birch-Murnaghan equation of state.Intensity data were collected at 10.9(1), 12.0(1), 12.1(1), 12.6(1) and 13.1(1) GPa. From the five intensity data sets, one was collected using synchrotron radiation at HASYLAB/DESY and the other four using a conventional X-ray tube. Results show that the SiOIn addition to the five intensity data sets collected, X-ray diffraction experiments were carried out up to 19.3 GPa in order to address the question of when the structure undergoes amorphization. It was observed that up to 19.3 GPa, no pressure-induced amorphization takes place. This result is in agreement with studies carried out on powder quartz and theoretical studies.

scholarly journals X-ray Diffraction and Theoretical Studies of the High-Pressure Behavior of Magnesium Fluoride

2000 ◽  
Vol 56 (s1) ◽  
pp. s216-s216
Author(s):  
J. Haines ◽  
J. M. Léger ◽  
F. Gorelli ◽  
D. D. Klug ◽  
J. S. Tse ◽  
...  
Keyword(s):  
High Pressure ◽  
Magnesium Fluoride ◽  
Theoretical Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pressure Behavior
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