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Related papers: High-Pressure Structural Evolution of Na2ZrSi2O7 a…

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We report a study of the high-pressure structural behavior of ZnV2O6, Zn2V2O7, and Zn3V2O8, which has been explored by means of synchrotron powder x-ray diffraction. We found that ZnV2O6 and Zn3V2O8 remain in the ambient-pressure structure…

The ambient-temperature high-pressure behaviour of (La0.2Nd0.2Sm0.2Gd0.2Yb0.2)2Zr2O7 zirconate (HEZ) nanopowders with three different average particle sizes (~25nm, ~45 nm and ~ 68nm) were studied using synchrotron X-ray diffraction…

Materials Science · Physics 2025-06-03 Yogendar Singh , Xinghua Su , Vivek Kumar , H. K. Poswal , K. K. Pandey , Pawan Kumar Kulriya

The high pressure structural properties of bismuth oxide Bi2SiO5 have been investigated up to 28 GPa using in situ powder synchrotron X-ray diffraction and up to 50 GPa with DFT calculations. The monoclinic structure is found to persist up…

Studying the effect of high pressure (exceeding 10 kbar) on the structure of solids allows to gain deeper insight in the mechanism governing crystal structure stability. Here we report a study on the high-pressure behaviour of zinc…

Materials Science · Physics 2020-04-08 Dominik Kurzydłowski , Anna Oleksiak , Sharad Babu Pillai , Prafulla K. Jha

Understanding the covalent clathrate formation is a crucial point for the design of new superhard materials with intrinsic coupling of superhardness and metallic conductivity. Silicon clathrates have the archetype structures that can serve…

The high pressure structural and electronic evolution of bulk MoS$_2$, an important transition metal layered dichalchogenide, is currently under active investigation. Recent theoretical and experimental work predicted and verified a 2H$_c…

Materials Science · Physics 2015-04-29 Oto Kohulák , Roman Martoňák , Erio Tosatti

Gas hydrates are systems of prime importance. In particular, hydrogen hydrates are potential materials of icy satellites and comets, and may be used for hydrogen storage. We explore the H2O-H2 system at pressures in the range 0-100 GPa with…

Materials Science · Physics 2014-04-01 Guang-Rui Qian , Andriy O. Lyakhov , Qiang Zhu , Artem R. Oganov , Xiao Dong

We study the structural evolution of Sr$_3$Ir$_2$O$_7$ as a function of pressure using x-ray diffraction. At a pressure of 54 GPa at room temperature, we observe a first-order structural phase transition, associated with a change from…

Tb2Ti2O7, a pyrochlore system, has garnered significant interest due to its intriguing structural and physical properties and their dependence on external physical parameters. In this study, utilizing high-brilliance synchrotron X-ray…

The structural evolution of two selected compositions of Yttria-Stabilized Zirconia (YSZ), with 3mol% (3YSZ) and 8mol% (8YSZ) of Y2O3, have been investigated under pressure using in-situ synchrotron X-ray diffraction (XRD) and Raman…

Solid CS$_{2}$ is superficially similar to CO$_{2}$, with the same $Cmca$ molecular crystal structure at low pressures, which has suggested similar phases also at high pressures. We carried out an extensive first principles evolutionary…

Materials Science · Physics 2015-06-23 S. Shahab Naghavi , Yanier Crespo , Roman Martonak , Erio Tosatti

We studied the crystal and magnetic structure of Ca2RuO4 by different diffraction techniques under high pressure. The observed first order phase transition at moderate pressure (0.5 GPa) between the insulating phase and the metallic high…

Strongly Correlated Electrons · Physics 2009-11-11 P. Steffens , O. Friedt , P. Alireza , W. G. Marshall , W. Schmidt , F. Nakamura , S. Nakatsuji , Y. Maeno , R. Lengsdorf , M. M. Abd-Elmeguid , M. Braden

The high-pressure behavior of silicon telluride (Si2Te3), a two-dimensional (2D) layered material, was investigated using synchrotron X-ray powder diffraction in a diamond anvil cell to 11.5 GPa coupled with first-principles theory. Si2Te3…

Materials Science · Physics 2024-10-10 Bohan Li , Frank Cerasoli , Ethan Chen , Martin Kunz , Davide Donadio , Kristie J. Koski

Understanding high-pressure transitions in prototypical linear diatomic molecules, such as hydrogen, nitrogen, and oxygen, is an important objective in high-pressure physics. Recent ultrahigh-pressure study on hydrogen revealed that there…

Materials Science · Physics 2019-10-31 Shan Liu , Meifang Pu , Qiqi Tang , Feng Zhang , Binbin Wu , Li Lei

X-ray diffraction measurements on the sphalerite-derivatives ZnGa2Se4 and CdGa2S4 have been performed upon compression up to 23 GPa in a diamond-anvil cell. ZnGa2Se4 exhibits a defect tetragonal stannite-type structure (I-42m) up to 15.5…

Materials Science · Physics 2008-09-29 D. Errandonea , R. S. Kumar , F. J. Manjon , V. V. Ursaki , I. M. Tiginyanu

This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…

The effects of pressure on the superconducting properties of a Bi-based layered superconductor La2O2Bi3Ag0.6Sn0.4S6, which possesses a four-layer-type conducting layer, have been studied through the electrical resistance and magnetic…

We report the results of the X-ray diffraction study of B2O3 glass in the pressure interval up to 10 GPa in the 300-700 K temperature range, the results of in-situ volumetric measurements of the glass at pressures up to 9 GPa at room…

Disordered Systems and Neural Networks · Physics 2008-07-19 V. V. Brazhkin , Y. Katayama , K. Trachenko , O. B. Tsiok , A. G. Lyapin , Emilio Artacho , M. Dove , G. Ferlat , Y. Inamura , H. Saitoh

We present a comprehensive first--principles study of the structural stability and superconducting behavior of Li$_2$PdH$_2$ under high pressure. Using random structure searching and phonon calculations, we identify a pressure--induced…

Superconductivity · Physics 2025-08-08 Zahra Alizadeh , Yue-Wen Fang , Ion Errea , M. R. Mohammadizadeh

Mg$_2$IrH$_6$ is a metastable complex metal hydride with a predicted superconducting transition temperature as high as 170 K at ambient pressure. Following the synthesis of isomorphic, insulating Mg$_2$IrH$_5$ at low pressure,…

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