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At least 217 records · Page 12

Accurate equation of state of H 2 – He binary mixtures up to 5.4 GPa

Brillouin scattering spectroscopy has been used to obtain an accurate (<1%) ρ-P equation of state (EOS) of 1:1 and 9:1 H 2 -He molar mixtures from 0.5 to 5.4 GPa at 296 K. Our calculated equations of state indicate close agreement with the experimental data right to the freezing pressure of hydrogen at 5.4 GPa. The measured velocities agree on average, within 0.5%, of an ideal mixing model. The ρ-P EOSs presented have a standard deviation of under 0.3% from the measured densities and under 1% deviation from ideal mixing. Furthermore, a detailed discussion of the accuracy, precision, and sources of error in the measurement and analyses of our equations of state is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural transition and uranium valence change in UTe 2 at high pressure revealed by x-ray diffraction and spectroscopy

High-pressure x-ray diffraction up to 30 GPa, in conjunction with resonant emission x-ray spectroscopy and partial fluorescence yield x-ray absorption spectroscopy up to 52 GPa, were used to study how the structural and electronic properties of UTe2 evolve with pressure at room temperature. An orthorhombic-to-tetragonal phase transition was observed to occur between 5 and 7 GPa, with a large volume collapse of nearly 10% and a nearest U-U distance increase by about 4%. This lower-to-higher symmetry transition suggests less 5⁢f electron participation in bonding when the weakly correlated superconducting phase in the tetragonal structure of UTe 2 appears. Beyond 7 GPa, no new structural transitions were found up to 30 GPa. The resonant x-ray emission spectra clearly demonstrate an intermediate valence of U, nearly +3.74 at 1.8 GPa and room temperature, and reveal that the U valence shifts towards 4+, passes through a peak at 2.8 GPa, then decreases towards 3+ and settles down to a nearly constant value above 15 GPa. These experiments reveal that some fundamental structural and valence changes occur in UTe 2 at relatively low pressures, which could be responsible for the interplay between unconventional superconductivity, magnetic ordering, and weakly correlated superconductivity that is manifested in the temperature-pressure phase diagram of UTe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synthesis of Mg2IrH5: A potential pathway to high-Tc hydride superconductivity at ambient pressure

Following long-standing predictions associated with hydrogen, high-temperature superconductivity has recently been observed in several hydride-based materials. Nevertheless, these high-Tc phases only exist at extremely high pressures, and achieving high transition temperatures at ambient pressure remains a major challenge. Recent predictions of the complex hydride Mg2IrH6 may help overcome this challenge with calculations of high-Tc superconductivity (65K

High-temperature superconductors↗

Elastic properties of the W 0.75 R e 0.25 alloy at high pressure up to 183 GPa

The high pressure equation of state for the W 0.75 R e 0.25 alloy is experimentally determined up to 183 GPa with synchrotron angle-dispersive powder x-ray diffraction in the diamond-anvil cell and to ∼925 GPa with density-functional theory. W-Re alloys are used in many industrial high-temperature applications and as a confining gasket material in high-pressure diamond-anvil cell research. The inclusion of 25 wt. % Re achieves the highest performance in terms of strength and ductility while also maintaining the body-centered-cubic (bcc) crystal structure, yet to date there has been no investigation into its elastic behavior at high pressure. We present the experimentally and theoretically determined volumetric and elastic pressure response and systematically compare these results to other W-Re alloys, finding that the bulk modulus of W-Re alloys varies nonlinearly with Re content and W 0.75 Re 0.25 becomes less incompressible than W at 85 GPa. Published by the American Physical Society 2025

Alloys↗

Detection of Hole Pockets in the Candidate Type-II Weyl Semimetal MoTe 2 from Shubnikov-de Haas Quantum Oscillations

We report the bulk electronic structure of T d -MoTe 2 features large hole Fermi pockets at the Brillouin zone center (Γ) and two electron Fermi surfaces along the Γ-X direction. However, the large hole pockets, whose existence has important implications for the Weyl physics of T d -MoTe 2 , has never been conclusively detected in quantum oscillations. This raises doubt about the realizability of Majorana states in T d -MoTe 2 , because these exotic states rely on the existence of Weyl points, which originated from the same band structure predicted by density functional theory (DFT). Here, we report an unambiguous detection of these elusive hole pockets via Shubnikov–de Haas (SdH) quantum oscillations. At ambient pressure, the quantum oscillation frequencies for these pockets are 988 and 1513 T, when the magnetic field is applied along the c axis. The quasiparticle effective masses m* associated with these frequencies are 1.50 and 2.77 m e , respectively, indicating the importance of Coulomb interactions in this system. We further measure the SdH oscillations under pressure. At 13 kbar, we detected a peak at 1798 T with m* = 2.86 m e . Relative to the oscillation data at a lower pressure, the amplitude of this peak experienced an enhancement, which can be attributed to the reduced curvature of the hole pockets under pressure. Combining our experimental data with DFT +U calculations, where U is the Hubbard parameter, our results shed light on why these important hole pockets have not been detected until now.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nucleation of Dislocations in 3.9 nm Nanocrystals at High Pressure

As circuitry approaches single nanometer length scales, it has become important to predict the stability of single nanometer-sized metals. The behavior of metals at larger scales can be predicted based on the behavior of dislocations, but it is unclear if dislocations can form and be sustained at single nanometer dimensions. Here, we report the formation of dislocations within individual 3.9 nm Au nanocrystals under nonhydrostatic pressure in a diamond anvil cell. We used a combination of x-ray diffraction, optical absorbance spectroscopy, and molecular dynamics simulation to characterize the defects that are formed, which were found to be surface-nucleated partial dislocations. These results indicate that dislocations are still active at single nanometer length scales and can lead to permanent plasticity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Temperature- and Rate-Dependent Pathways in Formation of Metastable Silicon Phases under Rapid Decompression

High-pressure metallic beta-Sn silicon (Si-II), depending on temperature, decompression rate, stress, etc., may transform to diverse metastable forms with promising semiconducting properties under decompression. However, the underlying mechanisms governing the different transformation paths are not well understood. Here, two distinctive pathways, viz., a thermally activated crystal-crystal transition and a mechanically driven amorphization, were characterized under rapid decompression of Si-II at various temperatures using in situ time-resolved x-ray diffraction. Under slow decompression, Si-II transforms to a crystalline bc8/r8 phase in the pressure range of 4.3-9.2 GPa through a thermally activated process where the overdepressurization and the onset transition strain are strongly dependent on decompression rate and temperature. In comparison, Si-II collapses structurally to an amorphous form at around 4.3 GPa when the volume expansion approaches a critical strain via rapid decompression beyond a threshold rate. The occurrence of the critical strain indicates a limit of the structural metastability of Si-II, which separates the thermally activated and mechanically driven transition processes. The results show the coupled effect of decompression rate, activation barrier, and thermal energy on the adopted transformation paths, providing atomistic insight into the competition between equilibrium and nonequilibrium pathways and the resulting metastable phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synthesis of Yttrium Superhydride Superconductor with a Transition Temperature up to 262 K by Catalytic Hydrogenation at High Pressures

The recent observation of room-temperature superconductivity will undoubtedly lead to a surge in the discovery of new, dense, hydrogen-rich materials. The rare earth metal superhydrides are predicted to have very high-T c superconductivity that is tunable with changes in stoichiometry or doping. Here we report the synthesis of an yttrium superhydride that exhibits superconductivity at a critical temperature of 262 K at 182±8 GPa. A palladium thin film assists the synthesis by protecting the sputtered yttrium from oxidation and promoting subsequent hydrogenation. Phonon-mediated superconductivity is established by the observation of zero resistance, an isotope effect and the reduction of T c under an external magnetic field. Furthermore, the upper critical magnetic field is 103 T at zero temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron Density Changes across the Pressure-Induced Iron Spin Transition

High-pressure single-crystal x-ray diffraction is used to experimentally map the electron-density distribution changes in (Fe,Mg)O as ferrous iron undergoes a pressure-induced transition from high- to low-spin states. As the bulk density and elasticity of magnesiowustite—one of the dominant mineral phases of Earth’s mantle—are affected by this electronic transition, our results have applications to geophysics as well as to validating first-principles calculations. Furthermore, the observed changes in diffraction intensities indicate a spin-transition-induced change in orbital occupancies of the Fe ion in general accord with crystal-field theory, illustrating the use of electron density measurements for characterizing high-pressure d-block chemistry and motivating further studies characterizing chemical bonding under pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Giant Negative Linear Compressibility in Orthorhombic Copper Cyanide

Most reported negative linear compressibility (NLC) materials exhibit either a small NLC over a large pressure range or a high NLC over a very small pressure range. Here, we report the remarkable discovery of giant NLC in the low-temperature form of CuCN (LT-CuCN) over an unusually large pressure range. High- pressure XRD studies on LT-CuCN observed the NLC of –20.5 TPa –1 along the a axis at zero pressure, and the ambient orthorhombic phase remained stable up to 9.8 GPa. Pressure- and temperature-dependent Raman studies identified the phonon vibrations responsible for NLC and negative thermal expansion (NTE).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synthesis and Characterization of Bulk Nd 1-x Sr x NiO 2 and Nd 1-x Sr x NiO 3

The recent reports of superconductivity in Nd 1-x Sr x NiO 2 /SrTiO 3 heterostructures have reinvigorated interest in potential superconductivity of low-oxidation state nickelates. Synthesis of Ni 1+ -containing compounds is notoriously difficult. In the current work, a combined sol-gel combustion and high-pressure annealing technique was employed to prepare polycrystalline perovskite Nd 1-x Sr x NiO 3 (x = 0, 0.1, and 0.2). Metal nitrates and metal acetates were used as starting materials, and the latter were found to be superior to the former in terms of safety and reactivity. The Nd 1-x Sr x NiO 3 compounds were subsequently reduced to Nd1-xSrxNiO2 using calcium hydride in a sealed, evacuated quartz tube. To understand the synthesis pathway, the evolution from NdNiO3 to NdNiO 2 was monitored using in situ synchrotron x-ray diffraction during the reduction process. Electrical transport properties were consistent with an insulator-metal transition occurring between x = 0 and 0.1 for Nd 1-x Sr x NiO 3 . Superconductivity was not observed in our bulk samples of Nd 1-x Sr x NiO 2 . Neutron diffraction experiments at 3 and 300 K were performed on Nd 0.9 Sr 0.1 NiO 2 , in which no magnetic Bragg reflections were observed, and the results of structural Rietveld refinement are provided.

36 MATERIALS SCIENCE↗

β -Technetium: An allotrope with a nonstandard volume-pressure relationship

In this work, we report the synthesis and structure of the second allotrope of technetium, β-Tc. Transformative pathways are accessed at extreme conditions using the laser-heated diamond anvil cell and confirmed with in situ synchrotron x-ray diffraction and Raman spectroscopy. βTc is fully recoverable to ambient conditions, although counter to our DFT calculations predicting a face-centered-cubic lattice, we observe a tetragonal structure (I4/mmm) that exhibits further tetragonal distortion with pressure. β-Tc has an expanded volume relative to the hcp ground state phase, that when doped with nitrogen has an unexpected volume lowering. Such anomalous behavior is possibly indicative of a rare electronic phase transition in a 4d element.

36 MATERIALS SCIENCE↗