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Register a new userSecond-order phase transition at high-pressure in A4B6 crystals
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The existence of second-order structural phase transition in the SnS at a pressure of 16 GPa has been proved theoretically. The calculation is performed using the plane-wave pseudopotential approach to density-functional theory within the local-density approximation (LDA) with the help of the ABINIT software package. The abrupt change in volume compression with unit cell volume continuous change of the crystal is the clear evidence of the second-order phase transition. It is shown that the phase transition is caused by the softening of the low-frequency fully symmetric interlayer mode with increasing pressure. As a result, displacement type phase transition (PT) take place with the change of translational symmetry of the crystal from the simple orthorhombic to the base-centered orthorhombic (Pcmn to Cmcm).
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Lanthanum (La), the first member of the rare-earth elements, recently aroused strong interest due to its unique superhydride with superconducting properties. Although there is much theoretical and experimental work about phase transitions and superconductivity in metallic La, we got a new body-centred tetragonal ($bct$) phase in metallic La with space group $I4/mmm$ at $190$ GPa exchanging from face-centered cubic ($fcc$) phase in previous work, which expanded the phase transition sequence. The $bct$ phase shows an abnormal packing way that turned to non-closed packing at high pressure. And more detailed properties of the new phase are discussed.
Studies of the behaviour of solids at ultra-high pressures, those beyond 200 GPa, contribute to our fundamental understanding of materials properties and allow an insight into the processes happening at such extreme conditions relevant for terrestrial and extra-terrestrial bodies. The behaviour of magnesium oxide, MgO, is of a particular importance, as it is believed to be a major phase in the Earth lower mantle and the interior of super-Earth planets. Here we report the results of studies of MgO at ultra-high static pressures up to ca. 660 GPa using the double-stage diamond anvil cell technique with synchrotron X-ray diffraction. We observed the B1-B2 phase transition in the pressure interval from 429(10) GPa to 562(10) GPa setting an unambiguous reference mark for the B1-B2 transition in MgO at room temperature. Our observations allow constraining theoretical predictions and results of available so far dynamic compression experiments.
When monoclinic monazite-type LaVO4 (space group P21/n) is squeezed up to 12 GPa at room temperature, a phase transition to another monoclinic phase has been found. The structure of the high-pressure phase of LaVO4 is indexed with the same space group (P21/n), but with a larger unit-cell in which the number of atoms is doubled. The transition leads to an 8% increase in the density of LaVO4. The occurrence of such a transition has been determined by x-ray diffraction, Raman spectroscopy, and ab initio calculations. The combination of the three techniques allows us to also characterize accurately the pressure evolution of unit-cell parameters and the Raman (and IR)-active phonons of the low- and high-pressure phase. In particular, room-temperature equations of state have been determined. The changes driven by pressure in the crystal structure induce sharp modifications in the color of LaVO4 crystals, suggesting that behind the monoclinic-to-monoclinic transition there are important changes of the electronic properties of LaVO4.
We consider a system of mutually interacting spin 1/2 embedded in a transverse magnetic field which undergo a second order quantum phase transition. We analyze the entanglement properties and the spin squeezing of the ground state and show that, contrarily to the one-dimensional case, a cusp-like singularity appears at the critical point $lambda_c$, in the thermodynamic limit. We also show that there exists a value $lambda_0 geq lambda_c$ above which the ground state is not spin squeezed despite a nonvanishing concurrence.
Given the consensus that pressure improves cation order in most of known materials, a discovery of pressure-induced disorder could require reconsideration of order-disorder transition in solid state physics/chemistry and geophysics. Double perovskites Y2CoIrO6 and Y2CoRuO6 synthesized at ambient pressure show B-site order, while the polymorphs synthesized at 6 and 15 GPa are partially-ordered and disordered respectively. With the decrease of ordering degrees, the lattices are shrunken and the crystal structures alter from monoclinic to orthorhombic symmetry. Correspondingly, long-range ferrimagnetic order in the B-site ordered phases are gradually overwhelmed by B-site disorder. Theoretical calculations suggest that unusual unit cell compressions under external pressures unexpectedly stabilize the disordered phases of Y2CoIrO6 and Y2CoRuO6.
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