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Superconducting and structural phase transitions in a pyrochlore oxide Cd2Re2O7 are studied under high pressure by x-ray diffraction and electrical resistivity measurements. A rich P-T phase diagram is obtained, which contains at least two…

We report direct experimental evidence of antiferroelectric to paraelectric phase transition under pressure in NaNbO3 using neutron diffraction at room temperature. The paraelectric phase is found to stabilize above 8 GPa and its crystal…

Materials Science · Physics 2015-06-11 S. K. Mishra , M. K. Gupta , R. Mittal , S. L. Chaplot , Thomas Hansen

We report the temperature-pressure phase diagram of CaKFe$_4$As$_4$ established using high pressure electrical resistivity, magnetization and high energy x-ray diffraction measurements up to 6 GPa. With increasing pressure, both resistivity…

The spin- and charge-density-wave order parameters of the itinerant antiferromagnet chromium are measured directly with non-resonant x-ray diffraction as the system is driven towards its quantum critical point with high pressure using a…

Strongly Correlated Electrons · Physics 2009-11-13 R. Jaramillo , Yejun Feng , J. C. Lang , Z. Islam , G. Srajer , H. M. Ronnow , P. B. Littlewood , T. F. Rosenbaum

Contradictory results of high-pressure studies in cubic bixbyite-type indium oxide (c-In2O3) at room temperature (RT) have motivated us to perform high-pressure powder x-ray diffraction and Raman scattering measurements in this material. On…

The hybrid perovskites are coordination frameworks with the same topology as the inorganic perovskites, but with properties driven by different chemistry, including host-framework hydrogen bonding. Like the inorganic perovskites, these…

We use powder x-ray diffraction to study the effect of pressure on the crystal structure of the honeycomb rhodate Li$_2$RhO$_3$. We observe low-pressure ($P$$<$$P_{c1}$ = 6.5 GPa) and high-pressure ($P$$>$$P_{c2}$ = 14 GPa) regions…

Strongly Correlated Electrons · Physics 2019-08-30 V. Hermann , S. Biswas , J. Ebad-Allah , F. Freund , A. Jesche , A. A. Tsirlin , M. Hanfland , D. Khomskii , P. Gegenwart , R. Valentí , C. A. Kuntscher

We study the structural and electronic properties of phase III of solid hydrogen using accurate many-electron theories and compare to state-of-the-art experimental findings. The atomic structures of phase III modelled by C2/c-24 crystals…

Materials Science · Physics 2021-02-24 Ke Liao , Tong Shen , Xin-Zheng Li , Ali Alavi , Andreas Grüneis

The crystalline structures of lanthanum tetraboride, LaB4, under pressure are investigated using a genetic algorithm method coupled with first-principles calculations. We find two low-enthalpy phases for LaB4 as the thermodynamic ground…

Materials Science · Physics 2022-03-14 Chen Pan , Sheng-Yan Wang , Hui Tang , Hong-Yun Wu , Hong Jiang , Yue-Hua Su , Chao Zhang

We report first-principles calculations of the frequency dependent linear and second-order optical properties of the two probable extended-solid phases of CO$_2$--V, i.e. $I\bar42d$ and $P2_12_12_1$. Compared to the parent $Cmca$ phase the…

Materials Science · Physics 2009-11-10 S. Sharma , J. K. Dewhurst , C. Ambrosch-Draxl

The behaviour of alkaline carbonates at high pressure is poorly understood. Indeed, theoretical and experimental investigations of general trends of pressure induced structural changes appear in the literature only sporadically. In this…

We report high pressure structural phase transformation sequence in a layered Iron-based superconducting compound FeSe0.3Te0.7 to 31 GPa at room temperature. The ambient pressure PbO type tetragonal phase (Space Group - P4/nmm) transforms…

Materials Science · Physics 2011-05-05 Andrew K. Stemshorn , Yogesh K. Vohra , Phillip M. Wu , F. C. Hsu , Y. L. Huang , M. K. Wu , K. W. Yeh

We use the density functional perturbation theory to determine for the first time the pressure evolution of the Raman intensities for a mineral, the two high-pressure structures of MgSiO3 perovskite and post-perovskite. At high pressures,…

Materials Science · Physics 2015-06-25 Razvan Caracas , Ronald E. Cohen

The pressure dependence of a large number of phonon modes in CaFe2As2 with energies covering the full range of the phonon spectrum has been studied using inelastic x-ray and neutron scattering. The observed phonon frequency changes are in…

High pressure x-ray diffraction (XRD) measurements on RMnO3 (R=Dy, Ho and Lu) reveals that varying structural changes occurs for different R ions. Large lattice changes (orthorhombic strain) occur in DyMnO3 and HoMnO3 while the Jahn-Teller…

Strongly Correlated Electrons · Physics 2014-04-01 T. Wu , T. A. Tyson , H. Chen , P. Gao , T. Yu , Z. Chen , Z. Liu , K. H. Ahn , X. Wang , S. -W. Cheong

A detailed high pressure investigation is carried out on $Fe_4Nb_2O_9$ using angle resolved x-ray diffraction and Raman spectroscopy measurements. We find a structural transition from the ambient trigonal phase to a monoclinic phase above…

Materials Science · Physics 2022-03-01 Mrinmay Sahu , Bishnupada Ghosh , Rajesh Jana , Jinguang Cheng , Goutam Dev Mukherjee

A novel approach for finding new transparent conductors involves taking advantage of electronic correlations in metallic transition metal oxides, such as SrVO$_3$, to enhance the electronic effective mass and suppress the plasma frequency…

Materials Science · Physics 2019-08-28 Arpita Paul , Turan Birol

The ferroelectric to paraelectric phase transition of multiferroic CaMnTi$_2$O$_6$ has been investigated at high pressures and ambient temperature by second harmonic generation (SHG), Raman spectroscopy, and powder and single-crystal x-ray…

Magnetic skyrmions are vortex-like spin textures, which can be manipulated by external stress or pressure via magnetoelastic effects. Here, we present the observation of isostructural phase transition in a biskyrmion host hexagonal MnNiGa…

Electronic properties of silicon-based clathrates can be tuned by boron incorporation into the silicon cage network. Sodium borosilicides clathrate outstands with uncommon stoichiometry and expected metallic properties, in contrast to other…

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