High-pressure behavior and phase stability of Na2B4O6(OH)2·3H2O (kernite)

The high-pressure behavior of kernite [ideally Na2B4O6(OH)2\ub73H2O, a ~ 7.02 \u212b, b ~ 9.16 \u212b, c ~ 15.68 \u212b, \u3b2 = 108.9\ub0, Sp Gr P21/c, at ambient conditions], an important B-bearing raw material (with B2O3 48 51 wt%) and a potential B-rich aggregate in radiation shielding materials, has been studied by single-crystal synchrotron X-ray diffraction up to 14.6 GPa. Kernite undergoes an iso-symmetric phase transition at 1.6-2.0 GPa (to kernite-II). Between 6.6-7.5 GPa, kernite undergoes a second phase transition, possibly iso-symmetric in character (to kernite-III). The crystal structure of kernite-II was solved and refined. The isothermal bulk modulus (KV0 = \u3b2-1 P0,T0, where \u3b2P0,T0 is the volume compressibility coefficient) of the ambient-pressure polymorph of kernite was found to be KV0 = 29(1) GPa and a marked anisotropic compressional pattern, with K(a)0: K(b)0: K(c)0~1:3:1.5., was observed. In kernite-II, the KV0 increases to 43.3(9) GPa and the anisotropic compressional pattern increases pronouncedly. The mechanisms, at the atomic scale, which govern the structure deformation, have been described

Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition

We discover that hcp phases of Fe and Fe0.9Ni0.1 undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound velocity, c/a lattice parameter ratio and M\"ossbauer center shift observed in our experiments. First-principles simulations within the dynamic mean field approach demonstrate that the transition is induced by many-electron effects. It is absent in one-electron calculations and represents a clear signature of correlation effects in hcp Fe

Pressure-induced charge ordering transition in CaMn7O12

We use high-pressure resistivity and single crystal x-ray diffraction at ambient and low temperature to investigate the charge ordering phase transition of CaMn 7 O 12 . We have found that at ambient temperature the Jahn-Teller distortion of the Mn 3 + O 6 octahedra rapidly decreases above 20 GPa, and vanishes at 28 GPa, when two Mn octahedral sites initially occupied by Mn 3 + and Mn 4 + become regular and equivalent as the result of a charge delocalization. Such a change correlates with a two orders of magnitude drop in the resistivity and a symmetry increase from the low-pressure rhombohedral R ¯ 3 phase to the cubic Im ¯ 3 structure, the same as one found at ambient pressure above 440 K. This yields the slope of the charge ordering phase boundary of d T c / d p ? ? 6 K/GPa. This result is further supported by the lack of a structural phase transition up to the maximum measured pressure of 30 GPa when the experiment is performed at 70 K. The satellite reflections of the structural modulation of the multiferroic phase of CaMn 7 O 12 observed at 70 K were found to hold up to 25 GPa with the structure keeping a constant modulation vector k = ( 0 0 0.925 ) with pressure. The average structure at 70 K does not show other indications of further phase transition.Y. Li and X. Du from Peking University are greatly acknowledged for growing and providing the CaMn7O12 crystals. D. Spahr and J. König from Goethe University are acknowledged for help with the single-crystal diffraction experiments. M.S. would like to acknowledge the financial support under the DFG-ANR Grant No. WI1232/41-1 and DFG GACR Project No. WI3320/3-1. V.M. and J.R.-F. thank the financial support from the Spanish Ministerio de Ciencia e Innovación (MICINN) for the Beatriz Galindo Program (BG20/000777) and for the Project No. PGC2018-097520- A-I00, respectively. DESY Photon Science is gratefully acknowledged. PETRA III at DESY is a member of the Helmholtz Association (HGF)

Pressure-induced structural change in liquid GaIn eutectic alloy

Synchrotron x-ray diffraction reveals a pressure induced crystallization at about 3.4 GPa and apolymorphic transition near 10.3 GPa when compressed a liquid GaIn eutectic alloy up to ~13 GPa atroom temperature in a diamond anvil cell. Upon decompression, the high pressure crystalline phaseremains almost unchanged until it transforms to the liquid state at around 2.3 GPa. The ab initiomolecular dynamics calculations can reproduce the low pressure crystallization and give some hints onthe understanding of the transition between the liquid and the crystalline phase on the atomic level.The calculated pair correlation function g(r) shows a non-uniform contraction reflected by the differentcompressibility between the short (1st shell) and the intermediate (2nd to 4th shells). It is concludedthat the pressure-induced liquid-crystalline phase transformation likely arises from the changes in localatomic packing of the nearest neighbors as well as electronic structures at the transition pressure

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A pressure-induced collapse of magnetic ordering in $β−Li_{2}IrO_3$ at $P_m ∼ 1.5–2$ GPa has previously been interpreted as evidence for possible emergence of spin liquid states in this hyperhoneycomb iridate, raising prospects for experimental realizations of the Kitaev model. Based on structural data obtained at room temperature, this magnetic transition is believed to originate in small lattice perturbations that preserve crystal symmetry, and related changes in bond-directional anisotropic exchange interactions. Here we report on the evolution of the crystal structure of $β−Li_{2}IrO_3$ under pressure at low temperatures $(T≤50 K)$ and show that the suppression of magnetism coincides with a change in lattice symmetry involving Ir-Ir dimerization. The critical pressure for dimerization shifts from 4.4(2) GPa at room temperature to $∼1.5–2$ GPa below 50 K. While a direct $Fddd→C2/c$ transition is observed at room temperature, the low temperature transitions involve new as well as coexisting dimerized phases. Further investigation of the Ir ($L3/L_2$) isotropic branching ratio in x-ray absorption spectra indicates that the previously reported departure of the electronic ground state from a $J_{eff} = 1/2$ state is closely related to the onset of dimerized phases. In essence, our results suggest that the predominant mechanism driving the collapse of magnetism in $β−Li_{2}IrO_3$ is the pressure-induced formation of $Ir_2$ dimers in the hyperhoneycomb network. The results further confirm the instability of the $J_{eff} = 1/2$ moments and related noncollinear spiral magnetic ordering against formation of dimers in the low-temperature phase of compressed $β−Li_{2}IrO_3$

Phase separation in paramagnetic Eu0.6La0.4-xSr xMnO3

We investigate the magnetic properties of the system Eu 0.6La0.4-xSrxMnO3 with 0.1≤x≤0.3 by means of magnetic susceptibility and electron spin resonance measurements. Ferromagnetic resonance signals are observed in the paramagnetic regime from above the magnetic ordering temperature TN up to approximately room temperature. This regime is characterized by the coexistence of ferromagnetic entities within the globally paramagnetic phase. The results are compared to the Griffiths scenario reported in La1-xSr xMnO3. © 2011 American Physical Society