Pressure induced phase transition in MnTe2

Energy dispersive high-pressure powder X-ray experiments have been performed for MnTe₂ up to a pressure of 20 GPa. MnTe₂ undergoes a discontinuous transformation from the cubic pyrite type structure to the orthorhombic marcasite type structure at 7.0±0.5 GPa upon increasing pressure. The transformation is accompanied by a large reduction in the specific volume (ΔV/V=0.18) which probably reflects different magnetic properties of the two modifications of MnTe₂.     

In situ complex impedance spectroscopy of mantle minerals measured at 20 GPa and 1400°C

Electrical conductivities of mantle silicate minerals (Mg_0·9Fe_0·1)₂SiO₄ olivine, wadsleyite and ringwoodite were determined at pressures up to 20 GPa and temperatures up to 1400°C using complex impedance spectroscopy in a high pressure multianvil apparatus. All samples were polycrystalline, synthesized in separate high pressure experiments prior to the electrical measurements. Olivine conductivities up to 10 GPa are very close to values determined at ambient pressure under controlled oxygen fugacities in previous studies indicating a very small pressure dependence. The conductivities of wadsleyite at 15 GPa and ringwoodite at 20 GPa are similar, and both about 100 times greater than for olivine. When compared to conductivity models of Earth's mantle, these results suggest that the steep increase in conductivity near the transition zone is mainly due to the olivine to wadsleyite phase transformation at 410 km depth, with only minor changes in conductivity occurring over the wadsleyite to ringwoodite transformation near 520 km depth.     

Phase transformation in Sm2O3 at high pressure: In situ synchrotron X-ray diffraction study and ab initio DFT calculation

Sm₂O₃ was compressed at room temperature up to 44.0 GPa and then decompressed back to ambient pressure. In situ X-ray diffraction was used to monitor the structural changes in the sample. A cubic to hexagonal phase transformation was observed in Sm₂O₃ for the first time. After decompression back to ambient pressure, the hexagonal phase was not quenchable and transformed to a monoclinic phase. Ab initio Density- Functional-Theory (DFT) calculations were performed to obtain theoretical data for comparison with the experimental results and elucidation of the transformation mechanism. A possible phase transformation mechanism that is consistent with the experimental results and theoretical calculations is proposed.     

Pressure induced superconductivity in BaMo6S8

The resistance and a.c. magnetic susceptibility of BaMo₆S₈ have been measured under pressure. A resistance-anomaly, indicative of the reported structural transformation at ～ 145 K, was observed. Non-bulk superconductivity with a pressure dependent signal size was induced by a quasi-hydrostatic pressure ? 15 kbar but not a hydrostatic pressure up to 18 kbar down to 1.2 K.     

High-precision measurements of the compressibility and the electrical resistivity of bulk <Emphasis Type="Italic">g</Emphasis>-As<Subscript>2</Subscript>Te<Subscript>3</Subscript> glasses at a hydrostatic pressure up to 8.5 GPa

High-precision studies of the volume and the electrical resistivity of g-As₂Te₃ glasses at a high hydrostatic pressure up to 8.5 GPa at room temperature are performed. The glasses exhibit elastic behavior in compression only at a pressure up to 1 GPa, and a diffuse structural transformation and inelastic density relaxation (logarithmic in time) begin at higher pressures. When the pressure increases further, the relaxation rate passes through a sharp maximum at 2.5 GPa, which is accompanied by softening the relaxing bulk modulus, and then decreases, being noticeable up to the maximum pressure. When pressure is relieved, an unusual inflection point is observed in the baric dependence of the bulk modulus near 4 GPa. The polyamorphic transformation is only partly reversible and the residual densification after pressure release is 2%. In compression, the electrical resistivity of the g-As₂Te₃ glasses decreases exponentially with increasing pressure (at a pressure up to 2 GPa); then, it decreases faster by almost three orders of magnitude in the pressure range 2–3.5 GPa. At a pressure of 5 GPa, the electrical resistivity reaches 10^–3 Ω cm, which is characteristic of a metallic state; this resistivity continues to decrease with increasing pressure and reaches 1.7 × 10^–4 Ω cm at 8.1 GPa. The reverse metal–semiconductor transition occurs at a pressure of 3 GPa when pressure is relieved. When the pressure is decreased to atmospheric pressure, the electrical resistivity of the glasses is below the initial pressure by two–three orders of magnitude. Under normal conditions, both the volume and the electrical resistivity relax to quasi-equilibrium values in several months. Comparative structural and Raman spectroscopy investigations demonstrate that the glasses subjected to high pressure have the maximum chemical order. The glasses with a higher order have a lower electrical resistivity. The polyamorphism in the As₂Te₃ glasses is caused by both structural changes and chemical ordering. The g-As₂Te₃ compound is the first example of glasses, where the reversible metallization under pressure has been studied under hydrostatic conditions.     

High pressure Raman spectroscopic study of spinel MgCr2O4

An in situ Raman spectroscopic study was conducted to investigate the pressure induced phase transformation of MgCr₂O₄ spinel up to pressures of 76.4 GPa. Results indicate that MgCr₂O₄ spinel undergoes a phase transformation to the CaFe₂O₄ (or CaTi₂O₄) structure at 14.2 GPa, and this transition is complete at 30.1 GPa. The coexistence of two phases over a wide range of pressure implies a sluggish transition mechanism. No evidence was observed to support the pressure-induced dissociation of MgCr₂O₄ at 5.7-18.8 GPa, predicted by the theoretical simulation. This high pressure MgCr₂O₄ polymorphism remains stable upon release of pressure, but at ambient conditions, it transforms to the spinel phase.     

Photo-and pressure-induced transformations in the linear orthorhombic polymer of C<Subscript>60</Subscript>

Stability of the linear orthorhombic polymer of C₆₀ under pressure and laser irradiation is studied by Raman scattering and X-ray diffraction measurements. The Raman spectrum at ambient pressure remains unchanged, in the time scale of the experiment, up to an intensity of 3200 W/cm² of the 514.5 nm line of an Ar⁺ laser, but irreversible changes are observed at higher intensities. The Raman spectra recorded at increased pressure show similar irreversible changes even at the laser intensity as low as 470 W/cm². The X-ray diffraction and Raman measurements of the pressure-treated samples, performed after pressure release, show that the nonirradiated material does not exhibit any changes in the crystal structure and phonon spectra. This behavior indicates a pressure-enhanced photo-induced transformation to a new polymeric phase characterized by a Raman spectrum that differs from those of the other known polymeric phases of C₆₀. The Raman spectra of the phototransformed linear orthorhombic polymer of C₆₀ were measured at a pressure of up to 29 GPa. The pressure dependence of the Raman mode frequencies show singularities near 4 GPa and 15 GPa, respectively, related to a reversible phase transition and an irreversible transformation to a metastable disordered phase. The diffuse Raman spectrum of the disordered phase does not exhibit substantial changes with an increase in pressure up to 29 GPa. The high-pressure phase transforms to a mixture of pristine and dimerized C₆₀, after pressure release and exposure to ambient conditions for 30 h. The text was submitted by the authors in English.     

Raman and photoluminescence spectroscopy study of benzoic acid at high pressures

Benzoic acid (C₆H₅COOH, BA) has been studied by high pressure Raman and fluorescence spectroscopy up to about 13.40 GPa using a diamond anvil cell at room temperature. The changes of lattice modes are interpreted as the crystal structure transformation. Three possible phase transitions, with the pressure increasing up to about 0.55, 3.67 and 11.10 GPa, are, respectively, elucidated as crystalline-to-crystalline, crystalline-to-amorphous transitions. A new material formed when the pressure is up to above 11.10 GPa remains stable after the pressure is released.     

铁磁形状记忆合金Mn2NiGa中应力诱发马氏体相的结构和磁性

采用金刚石对顶砧高压装置（DAC）和同步辐射X射线光源法,对Heusler类型的磁性形状记忆合金Mn₂NiGa的结构进行了原位高压X射线衍射测量,并对卸载后的受压样品进行了磁测量.实验观察到材料在室温下分别在0.77 GPa和20 GPa压力下发生了两次不可逆结构相变：马氏体相变和两种不同马氏体间的等结构相变.同时加压使马氏体结构中产生了大量的缺陷,造成了严重的晶格畸变,致使马氏体结构的矫顽力提高了近10倍,达到204 kA/m.结果发现,加压处理造成样品马氏体相饱和磁化强度的大幅度 关键词： 铁磁形状记忆合金 2NiGa')" href="#">Mn₂NiGa 高压 同步辐射     

TEP studies on Fe80B20 under pressure

The amorphous to crystalline transformation in the ferromagnetic metallic glass Fe₈₀B₂₀ has been studied up to 30 kbar pressure and 1000K. A previous study at ambient pressure revealed no change in thermoelectric power (TEP) at the crystallization temperature (T_x) while the resistivity showed a sudden decrease at the same temperature. The present experimental results show a distinct anomaly in TEP at T_x even at ambient pressure. This anomaly gets enhanced under pressure.     

High-precision measurements of the compressibility of chalcogenide glasses at a hydrostatic pressure up to 9 GPa

The volumes of glassy germanium chalcogenides GeSe₂, GeS₂, Ge₁₇Se₈₃, and Ge₈Se₉₂ are precisely measured at a hydrostatic pressure up to 8.5 GPa. The stoichiometric GeSe₂ and GeS₂ glasses exhibit elastic behavior in the pressure range up to 3 GPa, and their bulk modulus decreases at pressures higher than 2–2.5 GPa. At higher pressures, inelastic relaxation processes begin and their intensity is proportional to the logarithm of time. The relaxation rate for the GeSe₂ glasses has a pronounced maximum at 3.5–4.5 GPa, which indicates the existence of several parallel structural transformation mechanisms. The nonstoichiometric glasses exhibit a diffuse transformation and inelastic behavior at pressures above 1–2 GPa. The maximum relaxation rate in these glasses is significantly lower than that in the stoichiometric GeSe₂ glasses. All glasses are characterized by the “loss of memory” of history: after relaxation at a fixed pressure, the further increase in the pressure returns the volume to the compression curve obtained without a stop for relaxation. After pressure release, the residual densification in the stoichiometric glasses is about 7% and that in the Ge₁₇Se₈₃ glasses is 1.5%. The volume of the Ge₈Se₉₂ glass returns to its initial value within the limits of experimental error. As the pressure decreases, the effective bulk moduli of the Ge₁₇Se₈₃ and Ge₈Se₉₂ glasses coincide with the moduli after isobaric relaxation at the stage of increasing pressure, and the bulk modulus of the stoichiometric GeSe₂ glass upon decreasing pressure noticeably exceeds the bulk modulus after isobaric relaxation at the stage of increasing pressure. Along with the reported data, our results can be used to draw conclusions regarding the diffuse transformations in glassy germanium chalcogenides during compression.     

<Emphasis Type="Italic">In situ</Emphasis> study of the mechanism of formation of pressure-densified Sio<Subscript>2</Subscript> glasses

The volume of glassy a-SiO₂ upon compression to 9 GPa was measured in situ at high temperatures up to 730 K and at both pressure buildup and release. It was established that the residual densification of a-SiO₂ glass after high-pressure treatment was due to the irreversible transformation accompanied by a small change in volume directly under pressure. The bulk modulus of the new amorphous modification was appreciably higher (80% more than its original value), giving rise to residual densification as high as 18% under normal conditions. It was shown that the transformation pressure shifted to a lower pressure of about 4 GPa with a rise in temperature. A conclusion was drawn about the existence of at least two pressure-induced phase transitions accompanied by structure rearrangement in a-SiO₂. A nonequilibrium phase diagram is suggested for glassy SiO₂. It accounts for all the presently available experimental data and is confirmed by the existing modeling data.     

Compression of volume and lattice parameters of 2H-CsCdBr3 under high pressure

Abstract

Powder x-ray diffraction experiments have been performed on 2H-CsCdBr₃. at room temperature up to 25 GPa. At normal pressure this compound shows unidimensional electronic properties. Such unidimensional behaviour is not evident in terms of elastic bulk properties under pressure. No phase transformation occurs in this pressure range. The a and c lattice parameters steadily decrease with pressure; their ratio lowers by only 2% up to 25 GPa. The bulk modulus is low, 21.2 GPa, and is in very good agreement with the bulk modulus-volume systematics for ionic compounds. The value of the first pressure derivative is also typical of ionic compounds.     

Pressure-induced phase transition in ThO2 and PuO2

Abstract

Thorium and plutonium dioxides were studied under pressure by the energy dispersive X-ray diffraction method. A double conical slit assembly was used to collect simultaneously the diffracted radiation at five and seven degrees.

ThO₂ undergoes a phase transformation at 40 GPa. The high-pressure phase remains stable up to 55 GPa, the highest pressure reached in the experiment. For PuO₂, a structural transformation occurs near 39 GPa. The observed high-pressure phases of ThO₂ and PuO₂ exhibit similar diffraction spectra. Like for some other fluorite type compounds, the ThO₂ and PuO₂ high-pressure phase has been indexed in the PbCl₂-type structure. The bulk modulus has been calculated as B₀= 262 GPa with a pressure derivative of B₀' = 6.7 for ThO₂ and as B₀ = 379 GPa with B₀' = 2.4 for PuO₂. The volume decrease at the transition is 12% for PuO₂ and 8% for ThO₂.     

High pressure studies on α-cristobalite form of Al0.5Ga0.5PO4: hydrostatic versus non-hydrostatic conditions

High pressure angle-dispersive X-ray diffraction investigations have been carried out on α-cristobalite form of Al_0.5Ga_0.5PO₄. Our investigations show that the structural stability of this phase under high pressure depends on the nature of pressure conditions in the diamond anvil cell. Under hydrostatic pressure conditions using neon as a pressure transmitting medium, ambient orthorhombic C222₁ phase transforms to orthorhombic Cmcm phase at 4.9?GPa. The high pressure Cmcm phase remains stable up to the highest pressure in the experiment, i.e. 19?GPa. The values of bulk modulus for C222₁ and Cmcm phases are 19(2) and 126(4)?GPa, respectively. In contrast to this, under non-hydrostatic pressure conditions, transformation of ambient C222₁ phase to Cmcm phase has not observed up to 17.4?GPa. Instead, a new monoclinic phase P2₁ is observed which contains layers of six coordinated Al/Ga ions separated by less dense five coordinated Al/Ga ions.     

High pressure studies of the erbium-hydrogen system

High-pressure X-ray diffraction investigations up to 25 GPa using diamond anvil cell techniques (DAC) have been carried out on erbium and a series of erbium hydrides. The equations of state have been evaluated for ErH_1.95, ErH_2.091 (in the β-phase) and for γ-ErH₃. For comparison, the compressibility of pure erbium metal has also been determined in the same pressure range. A rapid drop of lattice volume at a pressure of about 14.5 GPa has been observed for ErH_2.091 accompanied by a color change of reflected light. This phenomenon was not observed in ErH_1.95 where the molar volume varied smoothly up to the highest pressure. A pressure-induced transformation from hexagonal to cubic phase has been detected for erbium trihydride. For pure erbium metal, a transition from hexagonal to samarium structure has been revealed, confirming previously reported behavior.     

Pressure induced band-gap tuning in KNbO3 for piezoelectric applications: Quantum DFT-GGA approach

Under pressure KNbO₃ has been studied for its structural, electronic and mechanical properties by using state of the art density functional theory. Elastic stability criterion and structural optimizations show stable cubic phase, up to 150 GPa, of the studied compound. Moreover the compound undergoes brittle (indirect band-gap) phase transformation to ductile (direct band-gap) phase transformation while retaining its cubic phase. Anisotropy is observed to decrease with pressure which results in an increase in the value of piezoelectric coefficient and thermal conductivity. The electronic properties reveal that anti-ferromagnetic nature remains invariant with increase in pressure. But Cauchy pressure explains that the majority of covalent bonds in unit cell are shifted towards ionic bonding at higher pressures. Our results are predictions for applications of KNbO₃ in high pressure optoelectronic devices and sensors.     

High pressure Raman spectroscopy of spinel-type ferrite ZnFe2O4

An in-situ Raman spectroscopic study was conducted to explore the pressure induced phase transformation of spinel-type ferrite ZnFe₂O₄. Results indicate that ferrite ZnFe₂O₄ initially transforms to an orthorhombic structure phase (CaFe₂O₄-polymorph) at a pressure of 24.6 GPa. Such a phase transformation is complete at 34.2 GPa, and continuously remains stable to the peak pressure of 61.9 GPa. The coexistence of the two phases over a wide range of pressure implies a sluggish mechanism upon the spinel-to-orthorhombic phase transition. Upon release of pressure, the high pressure ZnFe₂O₄ polymorph is quenchable at ambient conditions.     

57Fe Mössbauer study of SrFeO3 under ultra-high pressure

⁵⁷Fe Mössbauer absorption spectra under ultra-high pressure up to 53 GPa have been measured using a diamond anvil cell for SrFeO_2.97 which is one of the typical Fe⁴⁺ oxides having a cubic perovskite structure. External high pressure up to 53 GPa makes no indication of structural transformation and does not show any change in valence state of iron, however the Néel temperature of 131 K at 0 GP increases to 300 K and the⁵⁷Fe magnetic hyperfine field decreases from 32.9 T at 0 GPa and 6.5 K to 23.3 T at 53 GPa and 300 K.