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.

High-Pressure Phase Transitions of Cubic Y 2 O 3 under High Pressures by In-situ Synchrotron X-Ray Diffraction

2019 ◽  
Vol 36 (4) ◽  
pp. 046103 ◽  
Author(s):  
Sheng Jiang ◽  
Jing Liu ◽  
Xiao-Dong Li ◽  
Yan-Chun Li ◽  
Shang-Ming He ◽  
...  
Keyword(s):  
High Pressure ◽  
Phase Transitions ◽  
High Pressures ◽  
High Pressure Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pressure Phase

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.

Phase transitions of BaCO3 at high pressures

2008 ◽  
Vol 72 (2) ◽  
pp. 659-665 ◽  
Author(s):  
S. Ono ◽  
J. P. Brodholt ◽  
G. D. Price
Keyword(s):  
Phase Transition ◽  
Experimental Study ◽  
High Pressure ◽  
Phase Transitions ◽  
Bulk Modulus ◽  
First Principles ◽  
High Pressures ◽  
Ambient Conditions ◽  
The Stability ◽  
Previous Experimental Study

AbstractFirst-principles simulations and high-pressure experiments were used to study the stability of BaCO3 carbonates at high pressures. Witherite, which is orthorhombic and isotypic with CaCO3 aragonite, is stable at ambient conditions. As pressure increases, BaCO3 transforms from witherite to an orthorhombic post-aragonite structure at 8 GPa. The calculated bulk modulus of the post-aragonite structure is 60.7 GPa, which is slightly less than that from experiments. This structure shows an axial anisotropicc ompressibility and the a axis intersects with the c axis at 70 GPa, which implies that the pressure-induced phase transition reported in previous experimental study is misidentified. Although a pyroxene-like structure is stable in Mg- and Ca-carbonates at pressures >100 GPa, our simulations showed that this structure does not appear in BaCO3.

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.

Electronic Phase Transitions in F-electron Metals at High Pressures: Synchrotron X-ray Spectroscopic Studies on GD to 100 GPa

2008 ◽  
Vol 1104 ◽  
Author(s):  
Choong-Shik Yoo ◽  
Brian Maddox ◽  
Valentin Iota
Keyword(s):  
High Pressure ◽  
Electronic Structure ◽  
Phase Transitions ◽  
Electron Correlation ◽  
High Pressures ◽  
Spectroscopic Studies ◽  
Strong Electron ◽  
X Ray ◽  
Volume Collapse ◽  
Highly Correlated

AbstractUnusual phase transitions driven by electron correlation effects occur in many f-electron metals (lanthanides and actinides alike) from localized phases to itinerant phases at high pressures. The dramatic changes in atomic volumes and crystal structures associated with some of these transitions signify equally important changes in the underlying electronic structure of these correlated f-electron metals. Yet, the relationships among the crystal structure, electronic correlation and electronic structure in f-electron metals have not been well understood. In this study, utilizing recent advances in third-generation synchrotron x-ray spectroscopies and high-pressure diamond-anvil cell technologies, we describe the pressure-induced spectral changes across the volume collapse transition in Gd at 60 GPa and well above. The spectral results suggest that the f-electrons of high-pressure Gd phases are highly correlated even at 100 GPa – consistent with the Kondo volume collapse model and the recent experimental evidence of strong electron correlation of α-Ce.

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.

Size- and morphology-dependent structural transformations in anatase TiO2 nanowires under high pressures

2015 ◽  
Vol 93 (2) ◽  
pp. 165-172 ◽  
Author(s):  
Zhaohui Dong ◽  
Yang Song
Keyword(s):  
High Pressure ◽  
Phase Transitions ◽  
High Pressures ◽  
Anatase Phase ◽  
X Ray Diffraction ◽  
Bulk Materials ◽  
Tio2 Nanowires ◽  
X Ray ◽  
Different Dimensions ◽  
Size And Morphology

Titanium dioxide (TiO2) nanowires with two different dimensions (i.e., <100 nm and ∼200 nm in diameter) were synthesized and studied under high pressure up to 37 GPa by Raman spectroscopy and synchrotron X-ray diffraction. Direct anatase to baddeleyite phase transitions were observed in both samples upon compression, but with different onset pressures. The observed phase transitions are in contrast to bulk TiO2, where the anatase phase transforms to α-PbO2 phase and then the baddeleyite phase. Compressibility of the anatase and baddeleyite phases was found different than both nanocrystals and the corresponding bulk materials. Our comparative study demonstrated not only that the morphology of TiO2 nanowire substantially influences the high pressure behaviors, but dimensions play a determining role in terms of transformation pressures, phase stability regions, and compressibility.

Local and long-range order in ferroelastic lead phosphate at high pressure

2004 ◽  
Vol 60 (1) ◽  
pp. 1-9 ◽  
Author(s):  
R. J. Angel ◽  
U. Bismayer ◽  
W. G. Marshall
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Single Crystal ◽  
Local Structure ◽  
High Pressures ◽  
X Ray Diffraction ◽  
Lead Phosphate ◽  
Pure Lead ◽  
Trigonal Symmetry ◽  
X Ray

Pure lead phosphate, Pb3(PO4)2, undergoes a phase transition from C2/c to R\bar 3m symmetry at a pressure of approximately 1.8 GPa and room temperature. Single-crystal X-ray diffraction measurements of the unit-cell parameters of a sample doped with 1.6% Ba2+ for the Pb2+ indicates that the doping reduces the transition pressure by approximately 0.1 GPa. The structural evolution of both samples through the phase transition has been determined by Rietveld refinement of neutron powder diffraction data collected to pressures of 6.3 and 3.3 GPa, respectively. There is no evidence for any significant change in the local structure at the phase transition at high pressures; the structure of the R\bar 3m phase at pressures just above the phase transition includes disordered positions for several atoms. The observation of diffuse scattering from the R\bar 3m phase at high pressure by single-crystal X-ray diffraction suggests that the disorder is static and arises from the presence of several orientations of the ordered microdomains of the monoclinic local structure. The macroscopic transition from monoclinic to trigonal symmetry therefore appears to correspond to the pressure at which the coherency strains between the locally monoclinic microdomains are sufficient to create a dimensionally trigonal lattice within which local displacements of atoms are still significant. A further pressure increase then decreases the magnitude of these displacements until at 3.5 GPa or higher they are not detectable by our current experimental probes, and the structure appears to have true local and global trigonal symmetry.

High pressure phase transitions in organic solids II: X-ray diffraction study ofp-dichlorobenzene at high pressures

Pramana ◽  
1986 ◽  
Vol 27 (6) ◽  
pp. 835-839 ◽  
Author(s):  
Hema Sankaran ◽  
Surinder M Sharma ◽  
S K Sikka ◽  
R Chidambaram
Keyword(s):  
High Pressure ◽  
Phase Transitions ◽  
Diffraction Study ◽  
High Pressures ◽  
High Pressure Phase ◽  
X Ray Diffraction ◽  
Organic Solids ◽  
X Ray ◽  
Pressure Phase

scholarly journals Crystal and electronic structure engineering of tin monoxide by external pressure

2021 ◽  
Author(s):  
Kun Li ◽  
Junjie Wang ◽  
Vladislav A. Blatov ◽  
Yutong Gong ◽  
Naoto Umezawa ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Band Gap ◽  
High Pressures ◽  
Low Pressure ◽  
Widespread Application ◽  
Space Group ◽  
Tin Monoxide ◽  
High Possibility ◽  
Pressure Phase

AbstractAlthough tin monoxide (SnO) is an interesting compound due to its p-type conductivity, a widespread application of SnO has been limited by its narrow band gap of 0.7 eV. In this work, we theoretically investigate the structural and electronic properties of several SnO phases under high pressures through employing van der Waals (vdW) functionals. Our calculations reveal that a metastable SnO (β-SnO), which possesses space group P21/c and a wide band gap of 1.9 eV, is more stable than α-SnO at pressures higher than 80 GPa. Moreover, a stable (space group P2/c) and a metastable (space group Pnma) phases of SnO appear at pressures higher than 120 GPa. Energy and topological analyses show that P2/c-SnO has a high possibility to directly transform to β-SnO at around 120 GPa. Our work also reveals that β-SnO is a necessary intermediate state between high-pressure phase Pnma-SnO and low-pressure phase α-SnO for the phase transition path Pnma-SnO →β-SnO → α-SnO. Two phase transition analyses indicate that there is a high possibility to synthesize β-SnO under high-pressure conditions and have it remain stable under normal pressure. Finally, our study reveals that the conductive property of β-SnO can be engineered in a low-pressure range (0–9 GPa) through a semiconductor-to-metal transition, while maintaining transparency in the visible light range.

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