The Theoretical Study of the Cinnabar-to-Rocksalt Phase Transitions of HgTe and CdTe under High Pressure

2014 ◽  
Vol 1004-1005 ◽  
pp. 1608-1614 ◽  
Author(s):  
Xi Duo Hu ◽  
De Hai Zhu ◽  
Zhi Feng Zeng ◽  
Shao Rui Sun
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Phase Transitions ◽  
Theoretical Study ◽  
Chain Structure ◽  
Two Phase ◽  
Principle Calculation ◽  
First Principle Calculation ◽  
First Order ◽  
Rocksalt Phase

We performed the first-principle calculation to study the structures of cinnabar phase and the Cinnabar-to-rocksalt Phase transitions of HgTe and CdTe under high pressure. The calculated results show that for HgTe, the zincblende-to-cinnabar phase transition is under 2.2GPa, and the cinnabar-to-rocksalt phase transition is under 5.5 GPa; For CdTe, the two phase transitions occur under 4.0 GPa and 4.9 GPa, respectively, which well agree with the experimental results. The cinnabar-to-rocksalt phase transitions of most compounds, including HgTe and CdTe, except HgS are of first-order, and it is due to that their cinnabar phases are not chain structure as HgS and there are no relaxation process before the phase transition.

High-pressure phase transitions in the rare-earth orthoferrite LaFeO3

2014 ◽  
Vol 70 (3) ◽  
pp. 452-458 ◽  
Author(s):  
Martin Etter ◽  
Melanie Müller ◽  
Michael Hanfland ◽  
Robert E. Dinnebier
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Phase Transitions ◽  
Equations Of State ◽  
Spin Transition ◽  
Structural Phase ◽  
Two Phase ◽  
Pressure Derivative ◽  
Temperature Isotherm ◽  
Hydrostatic Limit

Sequential Rietveld refinements were applied on high-pressure synchrotron powder X-ray diffraction measurements of lanthanum ferrite (LaFeO3) revealing two phase transitions on the room-temperature isotherm up to a pressure of 48 GPa. The first structural phase transition of second order occurs at a pressure of 21.1 GPa, changing the space group fromPbnmtoIbmm. The second transition, involving a isostructural first-order phase transition, occurs at approximately 38 GPa, indicating a high-spin to low-spin transition of the Fe3+ion. Following the behavior of the volume up to the hydrostatic limit of methanol–ethanol it was possible to use inverted equations of state (EoS) to determine a bulk modulus ofB0= 172 GPa and a corresponding pressure derivative ofB′0= 4.3. In addition, the linearized version of the inverted EoS were used to determine the corresponding moduli and pressure derivatives for each lattice direction.

scholarly journals Electric properties of olive oil under pressure

2021 ◽  
Author(s):  
L. T. Pawlicki ◽  
R. M. Siegoczyński ◽  
S. Ptasznik ◽  
K. Marszałek
Keyword(s):  
Molecular Structure ◽  
Phase Transition ◽  
Phase Diagram ◽  
Phase Transitions ◽  
Olive Oil ◽  
Material Parameters ◽  
First Order ◽  
Long Time ◽  
Capacitive Reactance ◽  
First Order Phase

AbstractThe main purpose of the experiment was a thermodynamic research with use of the electric methods chosen. The substance examined was olive oil. The paper presents the resistance, capacitive reactance, relative permittivity and resistivity of olive. Compression was applied with two mean velocities up to 450 MPa. The results were shown as functions of pressure and time and depicted on the impedance phase diagram. The three first order phase transitions have been detected. All the changes in material parameters were observed during phase transitions. The material parameters measured turned out to be the much more sensitive long-time phase transition factors than temperature. The values of material parameters and their dependence on pressure and time were compared with the molecular structure, arrangement of molecules and interactions between them. Knowledge about olive oil parameters change with pressure and its phase transitions is very important for olive oil production and conservation.

scholarly journals Cosmological phase transitions: is effective field theory just a toy?

2021 ◽  
Vol 2021 (3) ◽  
Author(s):  
Marieke Postma ◽  
Graham White
Keyword(s):  
Field Theory ◽  
Phase Transition ◽  
Phase Transitions ◽  
Effective Field Theory ◽  
New Physics ◽  
Effective Field ◽  
Tree Level ◽  
Dark Sector ◽  
First Order ◽  
First Order Phase

Abstract To obtain a first order phase transition requires large new physics corrections to the Standard Model (SM) Higgs potential. This implies that the scale of new physics is relatively low, raising the question whether an effective field theory (EFT) description can be used to analyse the phase transition in a (nearly) model-independent way. We show analytically and numerically that first order phase transitions in perturbative extensions of the SM cannot be described by the SM-EFT. The exception are Higgs-singlet extension with tree-level matching; but even in this case the SM-EFT can only capture part of the full parameter space, and if truncated at dim-6 operators, the description is at most qualitative. We also comment on the applicability of EFT techniques to dark sector phase transitions.

scholarly journals Viscosity Measurement of Olive Oil under Pressure

2021 ◽  
Vol 6 (5) ◽  
Author(s):  
Pawlicki LT
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Phase Transitions ◽  
Liquid Phase ◽  
Olive Oil ◽  
Measurement Method ◽  
Viscosity Measurement ◽  
Food Preservation ◽  
Characteristic Frequencies ◽  
Viscosity Changes

This article presents changes in the viscosity of olive oil during compression. The test was carried out indirectly by measuring the dependence of the resonance frequency of the piezoelectric immersed in olive oil on pressure. For this purpose, for successive pressures, the resonance curves were read and the values of the characteristic frequencies were determined. Viscosity changes were analysed and related to the compression and crystallization taking place in the tested substance. During this research, a phase transition from the liquid phase to the alpha crystalline phase was detected, during which the resonant frequency of the tested piezoelectric reached a minimum and the viscosity related to this frequency reached a maximum. The measurement method developed in this paper can be used to detect the phase transitions of oils subjected to pressure. This may find application in the oil production and high-pressure food preservation industries for which this knowledge is essential for the safe and trouble-free use of their machines.

scholarly journals Monoclinic–orthorhombic first-order phase transition in K2ZnSi5O12 leucite analogue; transition mechanism and spontaneous strain analysis.

2021 ◽  
pp. 1-20
Author(s):  
Anthony M.T. Bell ◽  
Francis Clegg ◽  
Christopher M.B. Henderson
Keyword(s):  
Phase Transition ◽  
Strain Analysis ◽  
Phase Region ◽  
Martensitic Transition ◽  
Two Phase ◽  
Spontaneous Strain ◽  
First Order ◽  
Transition Mechanism ◽  
First Order Phase Transition ◽  
Increasing Temperature

Abstract Hydrothermally synthesised K2ZnSi5O12 has a polymerised framework structure with the same topology as leucite (KAlSi2O6, tetragonal I41/a), which has two tetrahedrally coordinated Al3+ cations replaced by Zn2+ and Si4+. At 293 K it has a cation-ordered framework P21/c monoclinic structure with lattice parameters a = 13.1773(2) Å, b = 13.6106(2) Å, c = 13.0248(2) Å and β = 91.6981(9)°. This structure is isostructural with K2MgSi5O12, the first cation-ordered leucite analogue characterised. With increasing temperature, the P21/c structure transforms reversibly to cation-ordered framework orthorhombic Pbca. This transition takes place over the temperature range 848−863 K where both phases coexist; there is an ~1.2% increase in unit cell volume between 843 K (P21/c) and 868 K (Pbca), characteristic of a first-order, displacive, ferroelastic phase transition. Spontaneous strain analysis defines the symmetry- and non-symmetry related changes and shows that the mechanism is weakly first order; the two-phase region is consistent with the mechanism being a strain-related martensitic transition.

scholarly journals Thermal evolution of the crystal structure and phase transitions of KNbO 3

2018 ◽  
Vol 5 (6) ◽  
pp. 180368 ◽  
Author(s):  
S. L. Skjærvø ◽  
K. Høydalsvik ◽  
A. B. Blichfeld ◽  
M.-A. Einarsrud ◽  
T. Grande
Keyword(s):  
Crystal Structure ◽  
Phase Transitions ◽  
Thermal Evolution ◽  
Dynamical Instability ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Cell Parameters ◽  
First Order ◽  
Heating And Cooling

The thermal evolution of the crystal structure and phase transitions of KNbO 3 were investigated by high-temperature powder X-ray diffraction and Rietveld refinement of the diffraction data. Two phase transitions from orthorhombic ( Amm 2) to tetragonal ( P 4 mm ) and from tetragonal to cubic ( P m 3 ¯ m ) were confirmed, both on heating and cooling. Both phase transitions are first order based on the observed hysteresis. The mixed displacive and order–disorder nature of the tetragonal to cubic transition is argued based on symmetry and apparent divergence of the atomic positions from pseudo-cubic values. The transition between the orthorhombic and tetragonal phase shows no temperature-dependence for atomic positions and only thermal expansion of the unit cell parameters and is thus discussed in relation to a lattice dynamical instability.

Phase transitions of (1−x) PbZrO3 + x (Na1/2Bi1/2)TiO3 (0.01 ≤ x ≤ 0.15) solid solutions

1999 ◽  
Vol 14 (1) ◽  
pp. 83-89 ◽  
Author(s):  
Jung-Kun Lee ◽  
Hyuk-Joon Youn ◽  
Kug Sun Hong
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Solid Solutions ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Two Phase ◽  
Phase Transition Temperatures ◽  
Temperature Phase Transition ◽  
Increasing Temperature

Morphotropic phase boundaries and temperature dependent phase transitions of (1 – x) PbZrO3 + x (Na1/2Bi1/2)TiO3 (0.01 ≤ x ≤ 0.15) solid solutions were investigated by x-ray diffraction, differential scanning calorimetry (DSC), and dielectric property analysis. Two morphotropic phase transitions at room temperature were found at x = 0.1 and 0.13, which were from antiferroelectric orthorhombic (with 4 × 4 × 2 superlattice [orthorhombic (I)]) to antiferroelectric orthorhombic (with 2 × 2 × 2 superlattice [orthorhombic (II)]) and from orthorhombic (II) to ferroelectric rhombohedral, respectively. With increasing temperature, the samples with 0.01 ≤ x < 0.1 showed two phase transitions, i.e., from orthorhombic (I) to orthorhombic (II) and from orthorhombic (II) to cubic. The other samples had only one phase transition with increasing temperature. Phase transition temperatures of all the samples were measured using DSC, and a phase diagram for the solid solutions was constructed. A model illustrating the antiparallel shift of Pb ions in the orthorhombic (II) phase was also proposed.

scholarly journals Phase transitions and critical phenomena of ice under high pressure

2014 ◽  
Vol 70 (a1) ◽  
pp. C894-C894
Author(s):  
Masakazu Matsumoto ◽  
Kazuhiro Himoto ◽  
Kenji Mochizuki ◽  
Hideki Tanaka
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Phase Transitions ◽  
Phase Boundary ◽  
Liquid Water ◽  
Tricritical Point ◽  
Melting Curve ◽  
Md Simulations ◽  
Free Energy Calculations ◽  
Lattice Points

Water distributes ubiquitously among the solar system and outer space in a wide variety of solid forms, i.e. more than ten kinds of crystalline ice, two types of amorphous ice, and clathrate hydrates. These polymorphs often play crucial roles in the planetary geology. Diversity of the stable ices and hydrates also suggests the existence of the various kinds of stable and metastable phases yet to be discovered [1]. Computer simulations and the theoretical treatments are useful to explore them. In this talk, we introduce the phase transitions of ice VII, which is one of the highest-pressure ice phases. The melting curve of ice VII to high-pressure liquid water has not been settled by experiments. We have proposed the intervention of a plastic phase of ice (plastic ice) between ice VII and liquid water, based on molecular dynamics (MD) simulations and the free energy calculations [2], which enables to account for large gaps among the various experimental curves of ice VII. In plastic ice, the water molecules are fixed at the lattice points, while they rotate freely. Interestingly, our additional survey by large-scale MD simulations elucidates that the phase transition between ice VII and plastic ice is first-order at low pressure as it was already predicted, while it is found to be second-order at higher pressures, where a tricritical point joins these phase boundaries together [3]. The critical fluctuations may give a clue for determining the phase boundary experimentally. We also argue about the phase transition dynamics of liquid water to ice VII at their direct phase boundary where metastable plastic ice phase plays an important role.

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