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 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

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

X-ray diffraction study of HgBa2CuO4+δ at high pressures

1997 ◽  
Vol 12 (2) ◽  
pp. 106-112
Author(s):  
Eduardo J. Gonzalez ◽  
Winnie Wong-Ng ◽  
Gasper J. Piermarini ◽  
Christian Wolters ◽  
Justin Schwartz
Keyword(s):  
High Pressure ◽  
Bulk Modulus ◽  
Pressure Range ◽  
High Pressures ◽  
Anisotropy Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Anisotropic Elastic ◽  
High Pressure Study

An in situ high pressure study using energy dispersive X-ray diffraction has been carried out on the polycrystalline high-Tc superconductor, HgBa2CuO4+δ (Hg-1201), to study its phase stability under pressure and also to measure its compressibility and bulk modulus. No evidence of pressure-induced polymorphism was found in the pressure range investigated, i.e., from 0.1 MPa (1 atm) to 5 GPa. The compound exhibited anisotropic elastic properties. The axial compressibility along the c axis was measured to be (3.96±0.35)×10−3GPa−1 and along the a axis (3.42±0.13)×10−3GPa−1, corresponding to an anisotropy ratio of 1.16±0.11. The bulk modulus was determined to be (94.7±4.2) GPa and, assuming a Poisson's ratio of 0.2, Young's modulus was estimated to be (170±8) GPa.

Phase transformation in Sm2O3 at high pressure: In situ synchrotron X-ray diffraction study and ab initio DFT calculation

2008 ◽  
Vol 145 (5-6) ◽  
pp. 250-254 ◽  
Author(s):  
Qixun Guo ◽  
Yusheng Zhao ◽  
Chao Jiang ◽  
Wendy L. Mao ◽  
Zhongwu Wang
Keyword(s):  
High Pressure ◽  
Phase Transformation ◽  
Ab Initio ◽  
Diffraction Study ◽  
Dft Calculation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Dft

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

scholarly journals Pressure-induced Jahn-Teller Switch in the Homoleptic Hybrid Perovskite [(CH3)2NH2]Cu(HCOO)3: Orbital Reordering by Unconventional Degrees of Freedom

2021 ◽  
Author(s):  
Rebecca Scatena ◽  
Michał Andrzejewski ◽  
Roger D Johnson ◽  
Piero Macchi
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Coordination Polymer ◽  
Degrees Of Freedom ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hybrid Perovskite ◽  
Jahn Teller

Through in-situ, high-pressure x-ray diffraction experiments we have shown that the homoleptic perovskite-like coordination polymer [(CH3)2NH2]Cu(HCOO)3 undergoes a pressure-induced orbital reordering phase transition above 5.20 GPa. This transition is distinct...

PHASE TRANSITION IN LAYERED PEROVSKITE LIKE MANGANATE Ca3Mn2O7 UNDER HIGH PRESSURE

2001 ◽  
Vol 15 (18) ◽  
pp. 2491-2497 ◽  
Author(s):  
J. L. ZHU ◽  
L. C. CHEN ◽  
R. C. YU ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
The Other ◽  
Layered Perovskite ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Diamond Anvil

In situ high pressure energy dispersive X-ray diffraction measurements on layered perovskite-like manganate Ca 3 Mn 2 O 7 under pressures up to 35 GPa have been performed by using diamond anvil cell with synchrotron radiation. The results show that the structure of layered perovskite-like manganate Ca 3 Mn 2 O 7 is unstable under pressure due to the easy compression of NaCl-type blocks. The structure of Ca 3 Mn 2 O 7 underwent two phase transitions under pressures in the range of 0~35 GPa. One was at about 1.3 GPa with the crystal structure changing from tetragonal to orthorhombic. The other was at about 9.5 GPa with the crystal structure changing from orthorhombic back to another tetragonal.

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