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A previously unknown thermodynamically stable high-pressure phase of BeF$_{2}$ has been predicted using the evolutionary algorithm USPEX. This phase occurs in the pressure range 18-27 GPa. Its structure has $C2/c$ space group symmetry and…

Experimentally, it is known that lithium undergoes a metal to semiconductor transition at about 80 GPA and a reentrant semiconductor to metal transition near 120 GPA. This unusual behaviour has been attributed to the formation of…

Materials Science · Physics 2018-05-23 Mauricio A. Flores , Gonzalo Gutiérrez

We present x-ray powder diffraction (XRPD) and neutron diffraction measurements on the slightly underdoped iron pnictide superconductor Ba(1-x)K(x)Fe2As2, Tc = 32K. Below the magnetic transition temperature Tm = 70K, both techniques show an…

Pressure-dependent diffraction response of the superconducting phase separated Cs0.72Fe1.57Se2 has been studied using synchrotron radiation up to the pressure of 19 GPa. The main and secondary phases of Cs0.72Fe1.57Se2 have been observed in…

We report a theoretical \textit{ab-initio} study of $\beta$-As$_2$Te$_3$ ($R\bar{3}m$ symmetry) at hydrostatic pressures up to 12 GPa. We have systematically characterized the vibrational and electronic changes of the system induced by the…

We used by in-situ high energy X-ray diffraction to inestigate the deformation behavior of Grade 2 commercially pure titanium that was hydrogen charged to form hydrides. The results showed that the peak broadening in the diffraction…

Materials Science · Physics 2022-01-26 Qing Tan , Zhiran Yan , Runguang Li , Yang Ren , Yandong Wang , Baptiste Gault , Stoichko Antonov

The high-pressure behaviour of alpha-PbF2 has been investigated by angular-dispersive synchrotron X-ray powder diffraction up to 6.55(8) GPa. The fit of a 3rd-order Birch-Murnaghan equation-of-state gave the volume at zero pressure…

Materials Science · Physics 2007-05-23 L. Ehm , K. Knorr , F. Maedler , H. Voigtlaender , E. Busetto , A. Cassetta , A. Lausi , B. Winkler

Room temperature angle-dispersive x-ray diffraction measurements on zircon-type EuVO4, LuVO4, and ScVO4 were performed up to 27 GPa. In the three compounds we found evidence of a pressure-induced structural phase transformation from zircon…

Materials Science · Physics 2010-05-04 D. Errandonea , R. Lacomba-Perales , J. Ruiz-Fuertes , A. Segura , S. N. Achary , A. K. Tyagi

The MHD stabilization of ``rigid'' flute and ballooning modes with azimuthal number $m = 1$ in an axisymmetric mirror trap by means of a perfectly conducting lateral wall is studied both in the presence and in the absence of the end MHD…

Plasma Physics · Physics 2023-06-19 Igor Kotelnikov

The spin-ladder compounds of the BaFe2X3 (X = chalcogen) family may be viewed as dimensional reductions (along stripe-like motifs) of the two-dimensional iron-based pnictide planes extensively studied since 2006. Remarkably, despite their…

Germanates are often used as structural analogs of planetary silicates. We have explored the high-pressure phase relations in Mg$_2$GeO$_4$ using diamond anvil cell experiments combined with synchrotron x-ray diffraction and computations…

Geophysics · Physics 2024-03-06 R. V. Divya , G. Kumar , R. E. Cohen , S. J. Tracy , Y. Meng , S. Chariton , V. B. Prakapenka , R. Dutta

We present the magnetic and structural properties of [Cu(pyrazine)$_{0.5}$(glycine)]ClO$_4$ under applied pressure. As previously reported, at ambient pressure this material consists of quasi-two-dimensional layers of weakly coupled…

Strongly Correlated Electrons · Physics 2024-01-08 M. J. Coak , S. P. M. Curley , Z. Hawkhead , J. P. Tidey , D. Graf , S. J. Clark , P. Sengupta , Z. E. Manson , T. Lancaster , P. A. Goddard , J. L. Manson

We report the discovery of an intriguing pressure-driven phase transformation in the layered Kitaev-material $\alpha$-RuCl$_3$. By analyzing both the Bragg scattering as well as the diffuse scattering of high-quality single crystals, we…

Strongly Correlated Electrons · Physics 2022-09-20 Quirin Stahl , Tobias Ritschel , Gaston Garbarino , Frederico Cova , Anna Isaeva , Thomas Doert , Jochen Geck

Silicon telluride (Si2Te3) is a two-dimensional semiconductor with unique structural properties due to the size contrast between Si and Te atoms. A recent experiment shows that the material turns metallic under hydrostatic pressure, while…

Materials Science · Physics 2021-01-11 Romakanta Bhattarai , Xiao Shen

We report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of layered monoclinic arsenic sulfide (alpha-As2S3), aka mineral orpiment, under compression. X-ray diffraction and Raman…

High pressure energy-dispersive X-ray absorption spectroscopy is a valuable structural technique, especially, when combined with a nano-polycrystalline diamond anvil cell. Here we present recent results obtained using the dispersive setup…

Materials Science · Physics 2020-02-27 L. Nataf , F. Baudelet , A. Polian , I. Jonane , A. Anspoks , A. Kuzmin , T. Irifune

Lithium disilicate glasses and glass-ceramics are good potential candidates for biomedical applications and solid-state batteries, and serve as models of nucleation and crystal growth. Moreover, these glasses exhibit a phase separation that…

Layered transition-metal chalcogenides (Zr,Hf)GeTe$_{4}$ were screened out from database of Atomwork as a candidate for pressure-induced superconductivity due to their narrow band gap and high density of state near the Fermi level. The…

We applied synchrotron single-crystal X-ray diffraction in a diamond anvil cell at 48-51 GPa and first-principles theoretical calculations to study the crystal structure of solid atomic iodine at high pressure. We report the synthesis of…

A metal-insulator transition (MIT) in BiFeO$_3$ under pressure was investigated by a method combining Generalized Gradient Corrected Local Density Approximation with Dynamical Mean-Field Theory (GGA+DMFT). Our paramagnetic calculations are…

Strongly Correlated Electrons · Physics 2018-11-01 A. O. Shorikov , A. V. Lukoyanov , V. I. Anisimov , S. Y. Savrasov