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Using ab initio evolutionary structure prediction method in conjunction with density functional theory, we performed a systematic investigation on the structural transition of elemental scandium under pressure up to 250 GPa. Our prediction…

材料科学 · 物理学 2019-01-09 Shengcai Zhu , Xiao-Zhi Yan , Scott Fredericks , Yan-Ling Li , Qiang Zhu

Compressed S and Se are studied by x-ray diffraction with synchrotron radiation up to 160 GPa. The S-IV phase is shown to have a body-centered monoclinic structure and to be stable between 83 and 150 GPa on pressure increase, where it…

其他凝聚态物理 · 物理学 2009-11-11 Olga Degtyareva , Eugene Gregoryanz , Maddury Somayazulu , Ho-kwang Mao , Russell J. Hemley

Unprecedented bright and intense synchrotron X-rays have been widely used to unravel numerous compelling electronic and structural properties using a large variety of physical techniques, while the puzzling phenomenon is the uncertainties…

材料科学 · 物理学 2017-05-09 Xinguo Hong , Matt Newville , Ho-Kwang Mao , T. Irifune , L. Huang

We present temperature-dependent in-plane resistivity measurements on FeSe single crystals under He-gas pressure up to 800 MPa and magnetic fields $B \leq$ 10 T. A sharp phase transition anomaly is revealed at the tetragonal-to-orthorhombic…

超导电性 · 物理学 2015-06-11 S. Knöner , D. Zielke , S. Köhler , B. Wolf , Th. Wolf , L. Wang , A. Böhmer , C. Meingast , M. Lang

Recent experiments showed the distinct observations on the transition metal ditelluride NiTe$_2$ under pressure: one reported a superconducting phase transition at 12 GPa, whereas another observed a sign reversal of Hall resistivity at 16…

超导电性 · 物理学 2021-07-14 Jian-Feng Zhang , Yawen Zhao , Kai Liu , Yi Liu , Zhong-Yi Lu

The electronic and local structural properties of CuO under pressure have been investigated by means of X-ray absorption spectroscopy (XAS) at Cu K edge and ab-initio calculations, up to 17 GPa. The crystal structure of CuO consists of Cu…

We report the effects of hydrostatic pressure on the temperature-induced phase transitions in Fe1.08Te in the pressure range 0-3 GPa using synchrotron powder x-ray diffraction (XRD). The results reveal a plethora of phase transitions. At…

超导电性 · 物理学 2012-09-07 C. Koz , S. Rößler , A. A. Tsirlin , D. Kasinathan , C. Börrnert , M. Hanfland , H. Rosner , S. Wirth , U. Schwarz

High pressure in-situ synchrotron X-ray diffraction experiments were performed on Ag2Te up to 42.6 GPa at room temperature and four phases were identified. Phase I ({\beta}-Ag2Te) transformed into phase II at 2.4 GPa, and phase III and…

材料科学 · 物理学 2015-05-01 Zhao Zhao , Shibing Wang , Haijun Zhang , Wendy L. Mao

The crystal structure of SmFeAsO has been investigated by means of Rietveld refinement of high resolution synchrotron powder diffraction data collected at 300 K and 100 K. The compound crystallizes in the tetragonal P4/nmm space group at…

超导电性 · 物理学 2022-11-30 A. Martinelli , A. Palenzona , C. Ferdeghini , M. Putti , E. Emerich

Structurally disordered materials continue to pose fundamental questions, including that of how different disordered phases ("polyamorphs") can coexist and transform from one to another. As a widely studied case, amorphous silicon (a-Si)…

Spherical colloidal crystals (CCs) self-assemble on the interface between two liquids. These 2D structures unconventionally combine local hexagonal order and spherical geometry. Nowadays CCs are actively studied by altering their…

软凝聚态物质 · 物理学 2015-10-28 D. S. Roshal , A. E. Myasnikova , S. B. Rochal

The response to compression of the clathrate type-II structure Ge(cF136) is investigated by means of \textit{ab initio} small-cell metadynamics at different temperatures and pressures. At lower pressure $p$=2.5 GPa the metastable metallic…

材料科学 · 物理学 2022-11-23 Daniele Selli , Igor A. Baburin , Roman Martoňák , Stefano Leoni

The crystal structure of the layered, perovskite-related LaTiO_3.41 (La_5Ti_5O_{17+\delta}) has been studied by synchrotron powder x-ray diffraction under hydrostatic pressure up to 27 GPa (T = 295 K). The ambient-pressure phase was found…

强关联电子 · 物理学 2007-05-23 I. Loa , K. Syassen , X. Wang , F. Lichtenberg , M. Hanfland , C. A. Kuntscher

This is the second in a series of three papers in which we study a two-dimensional lattice gas consisting of two types of particles subject to Kawasaki dynamics at low temperature in a large finite box with an open boundary. Each pair of…

概率论 · 数学 2015-05-28 Frank den Hollander , Francesca R. Nardi , Alessio Troiani

We report the temperature dependent x-ray powder diffraction of the FeAs-based superconductors in the range between 300 K and 95 K. In the case of NdOFeAs we have detected the structural phase transition from the tetragonal phase, with…

超导电性 · 物理学 2009-01-12 Alessandro Ricci , Michela Fratini , Antonio Bianconi

Rattling-induced superconductivity in the {\beta}-pyrochlore oxide KOs2O6 is investigated under high pressure up to 5 GPa. Resistivity measurements in a high-quality single crystal reveal a gradual decrease in the superconducting transition…

The thermodynamics of phase transitions between phases that are size-mismatched but coherent differs from conventional stress-free thermodynamics. Most notably, in open systems such phase transitions are always associated with hysteresis.…

材料科学 · 物理学 2022-04-26 J. Magnus Rahm , Joakim Löfgren , Paul Erhart

Room temperature angle-dispersive x-ray diffraction measurements on zircon-type YPO4 and ErPO4, and monazite-type GdPO4, EuPO4, NdPO4, and LaPO4 were performed in a diamond-anvil cell up to 27 GPa using neon as pressure-transmitting medium.…

材料科学 · 物理学 2010-05-04 R. Lacomba-Perales , D. Errandonea , Y. Meng , M. Bettinelli

Experimental studies established that calcium undergoes several counterintuitive transitions under pressure: fcc \rightarrow bcc \rightarrow simple cubic \rightarrow Ca-IV \rightarrow Ca-V, and becomes a good superconductor in the simple…

材料科学 · 物理学 2015-05-20 A. R. Oganov , Y. M. Ma , Y. Xu , I. Errea , A. Bergara , A. O. Lyakhov

We present a systematic pressure study of poly- and single crystalline SrFe2As2 by electrical resistivity and X-ray diffraction measurements. SrFe2As2 exhibits a structural phase transition from a tetragonal to an orthorhombic phase at…