High-pressure transformations of NbO2F

2000 ◽  
Vol 56 (2) ◽  
pp. 189-196 ◽  
Author(s):  
Stefan Carlson ◽  
Ann-Kristin Larsson ◽  
Franziska E. Rohrer
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
High Pressures ◽  
Ambient Pressure ◽  
Close Packing ◽  
Hexagonal Close Packing ◽  
Rietveld Refinements ◽  
X Ray ◽  
Anion Coordination ◽  
Diamond Anvil

The ReO3-type structure NbO2F, niobium dioxyfluoride, has been studied at high pressures using diamond anvil cells and synchrotron X-ray radiation. High-pressure powder diffraction measurements have been performed up to 40.1 GPa. A phase transition from the cubic (Pm3¯m) ambient pressure structure to a rhombohedral (R3¯c) structure at 0.47 GPa has been observed. Rietveld refinements at 1.38, 1.96, 3.20, 6.23, 9.00 and 10.5 GPa showed that the transition involves an a − a − a − tilting of the cation–anion coordination octahedra and a change of the anion–anion arrangement to approach hexagonal close packing. Compression and distortion of the Nb(O/F)6 octahedra is also revealed by the Rietveld refinements. At 17–18 GPa, the diffraction pattern disappears and the structure becomes X-ray amorphous.

LEAD-CHALCOGENIDES UNDER PRESSURE: AB-INITIO STUDY

2013 ◽  
Vol 22 ◽  
pp. 612-618 ◽  
Author(s):  
DINESH C. GUPTA ◽  
IDRIS HAMID
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Ab Initio ◽  
Band Gap ◽  
Rock Salt ◽  
High Pressures ◽  
Ambient Pressure ◽  
High Pressure Phase ◽  
Lead Chalcogenides ◽  
Pressure Phase

ab-initio calculations using fully relativistic pseudo-potential have been performed to investigate the high pressure phase transition, elastic and electronic properties of lead-chalcogenides including the less known lead polonium. The calculated ground state parameters, for the rock-salt structure show good agreement with the experimental data. The enthalpy calculations show that these materials undergo a first-order phase transition from rock-salt to CsCl structure at 19.4, 15.5, 11.5 and 7.3 GPa for PbS, PbSe, PbTe and PbPo, respectively. Present calculations successfully predicted the location of the band gap at L-point of Brillouin zone as well as the value of the band gap in every case at ambient pressure. It is observed that unlike other lead-chalcogenides, PbPo is semi-metal at ambient pressure. The pressure variation of the energy gap indicates that these materials metalized under high pressures. For this purpose, the electronic structure of these materials has also been computed in parent as well as in high pressure phase.

scholarly journals Study on the High-Pressure Behavior of Goethite up to 32 GPa Using X-Ray Diffraction, Raman, and Electrical Impedance Spectroscopy

Minerals ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 99 ◽  
Author(s):  
Ruilian Tang ◽  
Jiuhua Chen ◽  
Qiaoshi Zeng ◽  
Yan Li ◽  
Xue Liang ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Impedance Spectroscopy ◽  
Electrical Impedance ◽  
High Pressures ◽  
Structural Phase ◽  
Second Order ◽  
Electrical Impedance Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray

Goethite is a major iron-bearing sedimentary mineral on Earth. In this study, we conducted in situ high-pressure x-ray diffraction, Raman, and electrical impedance spectroscopy measurements of goethite using a diamond anvil cell (DAC) at room temperature and high pressures up to 32 GPa. We observed feature changes in both the Raman spectra and electrical resistance at about 5 and 11 GPa. However, the x-ray diffraction patterns show no structural phase transition in the entire pressure range of the study. The derived pressure-volume (P-V) data show a smooth compression curve with no clear evidence of any second-order phase transition. Fitting the volumetric data to the second-order Birch–Murnaghan equation of state yields V0 = 138.9 ± 0.5 Å3 and K0 = 126 ± 5 GPa.

Structural stability of WS2 under high pressure

2014 ◽  
Vol 28 (25) ◽  
pp. 1450168 ◽  
Author(s):  
Nirup Bandaru ◽  
Ravhi S. Kumar ◽  
Jason Baker ◽  
Oliver Tschauner ◽  
Thomas Hartmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Structural Changes ◽  
High Pressures ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Heating Up

Structural behavior of bulk WS 2 under high pressure was investigated using synchrotron X-ray diffraction and diamond anvil cell up to 52 GPa along with high temperature X-ray diffraction and high pressure Raman spectroscopy analysis. The high pressure results obtained from X-ray diffraction and Raman analysis did not show any pressure induced structural phase transformations up to 52 GPa. The high temperature results show that the WS 2 crystal structure is stable upon heating up to 600°C. Furthermore, the powder X-ray diffraction obtained on shock subjected WS 2 to high pressures up to 10 GPa also did not reveal any structural changes. Our results suggest that even though WS 2 is less compressible than the isostructural MoS 2, its crystal structure is stable under static and dynamic compressions up to the experimental limit.

Crystal structure and the equation of state of thorium monophosphide for pressures up to 50 GPa

1989 ◽  
Vol 22 (1) ◽  
pp. 61-63 ◽  
Author(s):  
J. S. Olsen ◽  
L. Gerward ◽  
U. Benedict ◽  
H. Luo ◽  
O. Vogt
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
High Pressure ◽  
Synchrotron Radiation ◽  
Diamond Anvil Cell ◽  
X Ray Diffraction ◽  
Pressure Derivative ◽  
X Ray ◽  
Cscl Structure ◽  
Diamond Anvil

High-pressure X-ray diffraction studies have been performed on ThP using synchrotron radiation and a diamond-anvil cell. The bulk modulus B 0 and its pressure derivative B′0 have been determined (B 0 = 137 GPa; B′0 = 5.1). A phase transition from the NaCl structure to the CsCl structure was observed at about 30 GPa.

scholarly journals X-Ray Diffraction and Electron Microscopy Studies of the Size Effects on Pressure-Induced Phase Transitions in CdS Nanocrystals

MRS Advances ◽  
2020 ◽  
pp. 1-9
Author(s):  
Lingyao Meng ◽  
Hongyou Fan ◽  
J. Matthew Lane ◽  
Luke Baca ◽  
Jackie Tafoya ◽  
...  
Keyword(s):  
Phase Transition ◽  
Particle Size ◽  
High Pressure ◽  
Phase Transitions ◽  
Size Effects ◽  
High Pressures ◽  
Bulk Material ◽  
Cds Nanoparticles ◽  
X Ray ◽  
Potential Applications

Abstract In recent years, investigations of the phase transition behavior of semiconducting nanoparticles under high pressure has attracted increasing attention due to their potential applications in sensors, electronics, and optics. However, current understanding of how the size of nanoparticles influences this pressure-dependent property is somewhat lacking. In particular, phase behaviors of semiconducting CdS nanoparticles under high pressure have not been extensively reported. Therefore, in this work, CdS nanoparticles of different sizes are used as a model system to investigate particle size effects on high-pressure-induced phase transition behaviors. In particular, 7.5, 10.6, and 39.7 nm spherical CdS nanoparticles are synthesized and subjected to controlled high pressures up to 15 GPa in a diamond anvil cell. Analysis of all three nanoparticles using in-situ synchrotron wide-angle X-ray scattering (WAXS) data shows that phase transitions from wurtzite to rocksalt occur at higher pressures than for bulk material. Bulk modulus calculations not only show that the wurtzite CdS nanomaterial is more compressible than rocksalt, but also that the compressibility of CdS nanoparticles depends on their particle size. Furthermore, sintering of spherical nanoparticles into nanorods was observed for the 7.5 nm CdS nanoparticles. Our results provide new insights into the fundamental properties of nanoparticles under high pressure that will inform designs of new nanomaterial structures for emerging applications.

X-ray diffraction investigations of CaF2 at high pressure

1992 ◽  
Vol 25 (5) ◽  
pp. 578-581 ◽  
Author(s):  
L. Gerward ◽  
J. S. Olsen ◽  
S. Steenstrup ◽  
M. Malinowski ◽  
S. Åsbrink ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Synchrotron Radiation ◽  
High Pressures ◽  
Low Pressure ◽  
Single Crystal Sample ◽  
X Ray Diffraction ◽  
Crystal Sample ◽  
X Ray ◽  
Pressure Phase

Synchrotron-radiation X-ray diffraction studies of CaF2 at high pressures have been performed on a powder sample up to 45 GPa and on a single-crystal sample up to 9.4 GPa. The bulk modulus of the low-pressure phase was determined to be B 0 = 87 (5) GPa. A phase transition was observed at about 9.5 GPa. The transition is accompanied by a volume contraction of 11%. The high-pressure phase is orthorhombic PbCl2 type (space group Pbnm). The sample only partially reverts to the low-pressure phase upon release of pressure.

scholarly journals High Pressure Diffraction for the Geosciences at the Advanced Light Source

2014 ◽  
Vol 70 (a1) ◽  
pp. C1097-C1097
Author(s):  
Christine Beavers ◽  
Jason Knight ◽  
Bora Kalkan ◽  
Jinyuan Yan ◽  
Alastair MacDowell ◽  
...  
Keyword(s):  
High Pressure ◽  
Light Source ◽  
High Pressures ◽  
X Rays ◽  
X Ray Diffraction ◽  
User Friendliness ◽  
X Ray ◽  
Advanced Light Source ◽  
Diamond Anvil ◽  
Multiple Detectors

The Advanced Light Source, in concert with COMPRES, supports a superconducting bending magnet beamline devoted to extreme conditions diffraction. This facility, beamline 12.2.2, is aimed at the geoscience community, but is available to any who desire high pressures, high temperatures and hard X-rays. The latest development has been integrating single crystal x-ray diffraction for diamond anvil cells into the existing suite of high pressure powder diffraction and amorphous scattering techniques. Multiple heating techniques are available to the user, as well as multiple detectors, which can be chosen to best suit the sample. The current staff are dedicated to improving the user friendliness of the beamline; a difficult experiment need not to be further complicated by a difficult beamline. Beamline infrastructure, including recent advances and improvements, will be discussed.

Electronic, Magnetic and Structural Properties of the RFeO3 Antiferromagnetic-Perovskites at Very High Pressures

2002 ◽  
Vol 718 ◽  
Author(s):  
Moshe P. Pasternak ◽  
W. M. Xu ◽  
G. Kh. Rozenberg ◽  
R. D. Taylor
Keyword(s):  
High Pressure ◽  
High Pressures ◽  
Ambient Pressure ◽  
Magnetic Ordering ◽  
Exchange Interactions ◽  
Volume Reduction ◽  
Metallic State ◽  
First Order Phase Transition ◽  
Diamond Anvil ◽  
First Order Phase

AbstractAt ambient pressure the orthorhombic perovskites R-orthoferrites (R Ξ Lu, Eu, Y, Pr, and La) exhibit very large optical gaps. These large- gap Mott insulators in which the 3d5 high-spin ferric ions carry large local moments and magnetically order at TN > 600 K, undergo a sluggish structural first-order phase transition in the 30-50 GPa range, with the exception of the LuFeO3 which undergoes an isostructural volume reduction resulting from a high to low-spin crossover. High-pressure methods to 170 GPa using Mossbauer spectroscopy, resistance, and synchrotronbased XRD in diamond anvil cells were applied. Following the quasi-isostructural volume reduction (3-5%) the new phase the magnetic-ordering temperature is drastically reduced, to ∼ 100 K, the direct and super-exchange interactions are drastically weakened, and the charge-transfer gap is substantially reduced. The high-pressure (HP) phases of the La and Pr oxides, at their inception, are composed of high- and low-spin Fe3+ magnetic sublattices, the abundance of the latter increasing with pressure but HP phases of the Eu, Y, and Lu oxides consist solely of low-spin Fe3+. Resistance and Mössbauer studies in La and Pr orthoferrites reveal the onset of a metallic state with moments starting at P > 120 GPa. Based on the magnetic and electrical data of the latter species, a Mott phase diagram was established.

High-Pressure X-Ray Diffraction Studies of Elastic Anomalies in Superlattice

1991 ◽  
Vol 231 ◽  
Author(s):  
Y. Fujii ◽  
Y. Ohishi ◽  
H. Konishi ◽  
N. Nakayama ◽  
T. Shinjo
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
Orthorhombic Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Layer Stacking ◽  
Diamond Anvil ◽  
Elastic Anomalies ◽  
Structural Aspects

AbstractThis paper has made an overview on elastic and structural aspects of three distinct superlattices under hydrostatic pressure up to about 8GPa, which were studied by our unique x-ray diffraction technique incorporated with a diamond-anvil cell. They are metallic fcc/fcc Au/Ni, bcc/fcc Mo/Ni, and semiconductive epitaxially-grown PbSe/SnSe superlattices. In their layer-stacking direction, both metallic superlattices show the supermodulus behavior while the semiconductive one doesn't. However, its pressure-driven cubic-to-orthorhombic phase transition, successively taking place in the SnSe and PbSe layers, has been found to significantly shift by stress due to its epitaxial growth.

Pressure Tuning of Crystalline As2Te3

2004 ◽  
Vol 848 ◽  
Author(s):  
T. J. Scheidemantel ◽  
J. F. Meng ◽  
J. V. Badding
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Thermoelectric Power ◽  
Diamond Anvil Cell ◽  
Ambient Pressure ◽  
Structural Phase ◽  
Absolute Value ◽  
Pressure Tuning ◽  
Diamond Anvil ◽  
Pressure Phase

ABSTRACTWe report the pressure dependence of the thermoelectric power of As2Te3. Pressures up to 10 GPa were induced using a Mao-Bell diamond anvil cell. The absolute value of the thermoelectric power dropped from S ≈ 230μV/K at ambient pressure to S ≈ 75 GPa near 5 GPa. At 6 GPa it then increased rapidly to S ≈ 220βV/K. This behavior is indicative of a structural phase transition as suggested by previously published high pressure phase diagrams.

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