Can We Describe phase Transition in Insulators within the Landau PT theory Framework?

2009 ◽  
Vol 1215 ◽  
Author(s):  
David Simeone ◽  
Gianguido Baldinozzi ◽  
Dominique Gosset ◽  
Laurence Luneville ◽  
Léo Mazerolles
Keyword(s):  
Phase Transition ◽  
Room Temperature ◽  
Energy Deposition ◽  
Phenomenological Approach ◽  
Transition Theory ◽  
Model Systems ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pure Zirconia ◽  
Theory Framework

AbstractBased on studies of simple oxides, this paper demonstrates that the specific energy deposition modes under irradiation induce modifications of materials over different length scales. On the other hand, we show the Landau phase transition theory, widely used to explain the structural stability of materials out of irradiation, can give a general framework to describe the behavior of these oxides under irradiation. The use of X-ray diffraction techniques coupled with the Raman spectroscopy allows defining in a quantitative way the phenomenological parameters leading to predictive results. This paper clearly shows that in two model systems, pure zirconia and spinels, no unexpected new phases are produced in these oxides irradiated at room temperature and with different fluxes. Such a phenomenological approach may be useful to study the radiation tolerance of many crystalline ceramics (e.g. the zirconium based americium ceramics).

Electron Microscope study of commensurate-incommensurate phase transition in BaZnGeO4

1990 ◽  
Vol 48 (4) ◽  
pp. 172-173
Author(s):  
Naoki Yamamoto ◽  
Makoto Kikuchi ◽  
Tooru Atake ◽  
Akihiro Hamano ◽  
Yasutoshi Saito
Keyword(s):  
Phase Transition ◽  
Electron Microscope Study ◽  
Room Temperature ◽  
Hexagonal Lattice ◽  
Ferroelectric Materials ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Periodic Arrays ◽  
Modulation Wave Vector

BaZnGeO4 undergoes many phase transitions from I to V phase. The highest temperature phase I has a BaAl2O4 type structure with a hexagonal lattice. Recent X-ray diffraction study showed that the incommensurate (IC) lattice modulation appears along the c axis in the III and IV phases with a period of about 4c, and a commensurate (C) phase with a modulated period of 4c exists between the III and IV phases in the narrow temperature region (—58°C to —47°C on cooling), called the III' phase. The modulations in the IC phases are considered displacive type, but the detailed structures have not been studied. It is also not clear whether the modulation changes into periodic arrays of discommensurations (DC’s) near the III-III' and IV-V phase transition temperature as found in the ferroelectric materials such as Rb2ZnCl4.At room temperature (III phase) satellite reflections were seen around the fundamental reflections in a diffraction pattern (Fig.1) and they aligned along a certain direction deviated from the c* direction, which indicates that the modulation wave vector q tilts from the c* axis. The tilt angle is about 2 degree at room temperature and depends on temperature.

Rotational Polymorphism of Methyl-Substituted Ammonium Perchlorates

1965 ◽  
Vol 9 ◽  
pp. 170-189 ◽  
Author(s):  
M. Stammler ◽  
R. Bruenner ◽  
W. Schmidt ◽  
D. Orcutt
Keyword(s):  
Phase Transition ◽  
Ammonium Perchlorate ◽  
Room Temperature ◽  
Decomposition Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Analysis Techniques ◽  
Cell Dimensions ◽  
Thermal Analysis Techniques ◽  
Space Requirements

AbstractThe thermal transformations which take place in solid methyl-substituted ammonium perchlorates have been studied using high-temperature X-ray diffraction and differential thermal analysis techniques. In the temperature range from 20°C to their decomposition temperature (above 300°C), ammonium perchlorate and tetramethyl ammonium perchlorate undergo only one enantiomorphic phase transition, namely at 240 and 340°C (with decomposition), respectively. This I—II transition is ascribed to the beginning of the free rotation of the ClO4− ions. The rotation of the cations, however, begins below room temperature. If the symmetry of the cation is lowered by having both methyl groups and hydrogens arranged around the nitrogen (as in monomethyl, dimethyl, and trimethyl ammonium perchlorates), there is an additional enantiomorphic phase transition. This I—II transformation is ascribed to the rotation of the cations which have, in the partially substituted ions, two sets of non-equivalent symmetry axes (different moments of inertia). The temperatures of transformation are discussed in terms of the space requirements for rotation. Symmetries and cell dimensions of some modifications were determined.

Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]

2006 ◽  
Vol 62 (5) ◽  
pp. 768-774 ◽  
Author(s):  
Michel Evain ◽  
Luca Bindi ◽  
Silvio Menchetti
Keyword(s):  
Phase Transition ◽  
Room Temperature ◽  
Atomic Displacement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Diffusion ◽  
Ionic Conducting ◽  
Local Arrangement ◽  
Diffusion Paths ◽  
Linear Coordination

The crystal structure of a Se-rich antimonpearceite has been solved and refined by means of X-ray diffraction data collected at temperatures above (room temperature) and below (120 K) an ionic conductivity-induced phase transition. Both structure arrangements consist of the stacking of [(Ag,Cu)6(Sb,As)2(S,Se)7]2− A (A′) and [Ag9Cu(S,Se)2Se2]2+ B (B′) module layers in which Sb forms isolated SbS3 pyramids typically occurring in sulfosalts; copper links two S atoms in a linear coordination, and silver occupies sites with coordination ranging from quasi-linear to almost tetrahedral. In the ionic-conducting form, at room temperature, the silver d 10 ions are found in the B (B′) module layer along two-dimensional diffusion paths and their electron densities described by means of a combination of a Gram–Charlier development of the atomic displacement factors and a split-atom model. The structure resembles that of pearceite, except for the presence of both specific (Se) and mixed (S, Se) sites. In the low-temperature `ordered' phase at 120 K the silver d 10 ions of the B (B′) module layer are located in well defined sites with mixed S—Se coordination ranging from quasi-linear to almost tetrahedral. The structure is then similar to that of 222-pearceite but with major differences, specifically its cell metric, symmetry and local arrangement in the B (B′) module layer.

scholarly journals Structural Study of δ-AlOOH Up to 29 GPa

Minerals ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 1055
Author(s):  
Dariia Simonova ◽  
Elena Bykova ◽  
Maxim Bykov ◽  
Takaaki Kawazoe ◽  
Arkadiy Simonov ◽  
...  
Keyword(s):  
Phase Transition ◽  
Synchrotron Radiation ◽  
Equation Of State ◽  
Room Temperature ◽  
Diamond Anvil Cell ◽  
Volume Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Murnaghan Equation

A structure and equation of the state of δ-AlOOH has been studied at room temperature, up to 29.35 GPa, by means of single crystal X-ray diffraction in a diamond anvil cell using synchrotron radiation. Above ~10 GPa, we observed a phase transition with symmetry changes from P21nm to Pnnm. Pressure-volume data were fitted with the second order Birch-Murnaghan equation of state and showed that, at the phase transition, the bulk modulus (K0) of the calculated wrt 0 pressure increases from 142(5) to 216(5) GPa.

STRUCTURAL INSTABILITY IN A Bi–Sr–Ca–Cu–O SYSTEM

1989 ◽  
Vol 03 (16) ◽  
pp. 1241-1246 ◽  
Author(s):  
XIAOHUA CHEN ◽  
HUIMIN SHEN ◽  
YENING WANG
Keyword(s):  
Phase Transition ◽  
Elastic Modulus ◽  
Internal Friction ◽  
Room Temperature ◽  
Structural Instability ◽  
Transition Temperatures ◽  
Superconducting Transition ◽  
X Ray Diffraction ◽  
X Ray ◽  
Elastic Softening

Measurements of internal friction and elastic modulus on Bi–Sr–Ca–Cu–O system reveal that a certain kind of phase transition take place a few tens degrees higher than T c . X-ray diffraction measurements show that the symmetry remains unchanged from room temperature to 77 K but the lattice parameters jump at the transition temperatures. Ferroelastic loop were measured around the temperatures mentioned above, which indicates the existence of movable boundaries and elastic softening. It is considered that the instability favor the superconducting transition followed.

Reinvestigation of the structure of BaCuSi2O6 – evidence for a phase transition at high temperature

2004 ◽  
Vol 60 (5) ◽  
pp. 491-495 ◽  
Author(s):  
Karine M. Sparta ◽  
Georg Roth
Keyword(s):  
Phase Transition ◽  
High Temperature ◽  
Room Temperature ◽  
Unit Cell Volume ◽  
Structural Phase ◽  
Original Structure ◽  
Crystal Chemical ◽  
X Ray Diffraction ◽  
X Ray ◽  
Barium Copper

Superstructure reflections have been observed in the room-temperature X-ray diffraction pattern of BaCuSi2O6, barium copper disilicate. The tetragonal structure has a fourfold unit-cell volume compared with the original structure determined by Finger et al. [(1989), Am. Mineral. 74, 952–955]. At T s = 610 K BaCuSi2O6 undergoes a structural phase transition upon which the superstructure reflections disappear. The description of the structure in the larger cell removes the crystal-chemical inconsistencies observed for the original structure.

X-Ray Diffraction Study of the Phase Transition of the ${\rm Si}(111)(\sqrt{3} \times \sqrt{3})\mbox{-Ag}$ Surface

2003 ◽  
Vol 10 (02n03) ◽  
pp. 519-524 ◽  
Author(s):  
Toshio Takahashi ◽  
Hiroo Tajiri ◽  
Kazushi Sumitani ◽  
Koichi Akimoto ◽  
Hiroshi Sugiyama ◽  
...  
Keyword(s):  
Phase Transition ◽  
Transition Temperature ◽  
Low Temperatures ◽  
Diffuse Scattering ◽  
Room Temperature ◽  
Bragg Reflection ◽  
Grazing Incidence ◽  
X Ray Diffraction ◽  
X Ray ◽  
Displacive Phase Transition

The structure of the [Formula: see text] surface was studied at both room temperature and a low temperature of 50 K using grazing incidence X-ray diffraction. At low temperatures diffuse scattering was observed in addition to Bragg reflection. Least squares analyses for Bragg reflections using anisotropic Debye–Waller factors show that the structure at 50 K is consistent with an inequivalent triangle (IET) model, while the structure at room temperature is explained by a honeycomb-chained triangle (HCT) model with strong anisotropic Debye–Waller factors. From the temperature dependence of diffuse scattering, the phase transition temperature Tc and critical exponent β were determined to be about 150 K and 0.27. Some Bragg intensities showed discontinuous changes in their first derivatives at Tc. The results favor a displacive phase transition rather than an order–disorder one.

scholarly journals Large electromechanical strain and unconventional domain switching near phase convergence in a Pb-free ferroelectric

2020 ◽  
Vol 3 (1) ◽  
Author(s):  
Sarangi Venkateshwarlu ◽  
Lalitha K. Venkataraman ◽  
Valentin Segouin ◽  
Frederick P. Marlton ◽  
Ho Chin Hin ◽  
...  
Keyword(s):  
Phase Transition ◽  
Room Temperature ◽  
Domain Switching ◽  
Polarization Vector ◽  
Orthorhombic Phase ◽  
Image Correlation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Reversible Phase Transition ◽  
Domain Reorientation

Abstract In many ferroelectrics, large electromechanical strains are observed near regions of composition- or temperature- driven phase coexistence. Phenomenologically, this is attributed to easy re-orientation of the polarization vector and/or phase transition, although their effects are highly convoluted and difficult to distinguish experimentally. Here, we used synchrotron X-ray scattering and digital image correlation to differentiate between the microscopic mechanisms leading to large electrostrains in an exemplary Pb-free piezoceramic Sn-doped barium calcium zirconate titanate. Large electrostrains of ~0.2% measured at room-temperature are attributed to an unconventional effect, wherein polarization switching is aided by a reversible phase transition near the tetragonal-orthorhombic phase boundary. Additionally, electrostrains of ~0.1% or more could be maintained from room temperature to 140 °C due to a succession of different microscopic mechanisms. In situ X-ray diffraction elucidates that while 90° domain reorientation is pertinent below the Curie temperature (TC), isotropic distortion of polar clusters is the dominant mechanism above TC.

scholarly journals Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)2-BA

2011 ◽  
Vol 67 (3) ◽  
pp. 244-249 ◽  
Author(s):  
Pilar García-Orduña ◽  
Slimane Dahaoui ◽  
Claude Lecomte
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Charge Transfer ◽  
Room Temperature ◽  
Charge Transfer Complex ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Donor And Acceptor ◽  
A Charge

The crystal structure of the 2:1 charge-transfer complex of tetrathiafulvalene [2,2′-bis(1,3-dithiolylidene)] and bromanil (tetrabromo-1,4-benzoquinone) [(TTF)2-BA, (C6H4S4)2–C6Br4O2] has been determined by X-ray diffraction at room temperature, 100 and 25 K. No structural phase transition occurs in the temperature range studied. The crystal is made of TTF–BA–TTF sandwich trimers. A charge-transfer estimation between donor and acceptor (0.2 e) molecules is proposed in comparison to the molecular geometries of TTF–BA and TTF and BA isolated molecules. Displacement parameters of the molecules have been modeled with the TLS formalism.

scholarly journals New Phase in Fluid Hydrogen at Room Temperature

2021 ◽  
Author(s):  
Atsuko Nakayama ◽  
Yuya Isurugi ◽  
Yuya Serizawa ◽  
Satoshi Nakano ◽  
Ayako Ohmura ◽  
...  
Keyword(s):  
Phase Transition ◽  
Room Temperature ◽  
Fluid Phase ◽  
Honeycomb Lattice ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transition Pressure ◽  
Peak Separation ◽  
Phase Transition Pressure ◽  
New Phase

Abstract The presence of phase-transition in hydrogen (H2) at around 560 megapascal (MPa) and room temperature was clarified by Raman and x-ray diffraction studies on both pure H2 and graphite-H2 mixture. H2 is intercalated into the nano-space of graphite, which lowers the transition pressure and temporally expands the size of the honeycomb lattice of graphite under pressure up to 600 MPa. It is supposed that is caused by a gas-liquid phase-transition. According to the peak analysis for Q1(J) mode, the ortho-para conversion of H2 gradually begins to appear after the phase-transition pressure even at room temperature, while peak separation is difficult to achieve under pressure above 1.6 gigapascal (GPa) because of significant overlapping of the peak intensities. Because we have missed the ortho-para conversion which could be observed in only such a small pressure range, the fluid phase at room temperature was full of mystery.

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