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We report here a study of reversible pressure-induced structural transformation between two amorphous forms of SO$_2$: molecular at pressures below 26 GPa and polymeric above this pressure, at temperatures of 77 - 300 K. The transformation…

We report a characterization of the high-pressure behavior of zinc-iodate, Zn(IO3)2. By the combination of x-ray diffraction, Raman spectroscopy, and first-principles calculations we have found evidence of two subtle isosymmetric structural…

Materials Science · Physics 2024-01-25 A. Liang , C. Popescu , F. J. Manjon , P. Rodriguez-Hernandez , A. Munoz , Z. Hebboul , D. Errandonea

We report a high-pressure study of orthorhombic rare-earth manganites AMnO3 using Raman scattering (for A = Pr, Nd, Sm, Eu, Tb and Dy) and synchrotron X-ray diffraction (for A = Pr, Sm, Eu, and Dy). In all cases, a structural and…

We report high-pressure magnetization and $^{35}$Cl NMR studies on $\alpha$-RuCl$_3$ with pressure up to 1.5~GPa. At low pressures, the magnetic ordering is identified by both the magnetization data and the NMR data, where the $T_N$ shows a…

Strongly Correlated Electrons · Physics 2017-12-06 Y. Cui , J. Zheng , K. Ran , Jinsheng Wen , Zhengxin Liu , B. Liu , Wenan Guo , Weiqiang Yu

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

Motivated by the recent report of superconductivity above 200 K in ultra-dense hydrogen sulfide, we search for high-\tc\ conventional superconductivity in the phase diagram of the binary Li-S system, using {\em ab-initio} methods for…

Superconductivity · Physics 2016-08-10 Christian Kokail , Christoph Heil , Lilia Boeri

Sm-doped BiFeO3 compacted powders with composition across the morphotropic phase boundary region were prepared by sol-gel method. Crystal structure, morphology and magnetic state of the compounds were analyzed as a function of dopant…

Synchrotron x-ray diffraction experiments have been carried out on Eu metal at ambient temperature to pressures as high as 92 GPa (0.92 Mbar). Following the well-known bcc-to-hcp transition at 12 GPa, a mixed phase region is observed from…

Materials Science · Physics 2015-05-20 W. Bi , Y. Meng , R. S. Kumar , A. L. Cornelius , W. W. Tipton , R. G. Hennig , Y. Zhang , C. Chen , J. S. Schilling

We investigate the high-pressure behaviour of beryllium, magnesium and calcium difluorides using ab initio random structure searching and density functional theory (DFT) calculations, over the pressure range 0-70 GPa. Beryllium fluoride…

Materials Science · Physics 2017-03-01 J. R. Nelson , R. J. Needs , C. J. Pickard

High-pressure magnetization, structural and 57Fe M\"ossbauer studies were performed on superconducting Rb0.8Fe1.6Se2.0 with Tc = 32.4 K. The superconducting transition temperature gradually decreases on increasing pressure up to 5.0 GPa…

We report a joint experimental and theoretical investigation of the high-pressure structural and vibrational properties of terbium sesquioxide (Tb2O3). Powder x-ray diffraction and Raman scattering measurements show that cubic (C-type)…

Single crystals of XPt$_{5}$P (X = Al, Ga, and In) were grown from a Pt-P solution at high temperatures, and ambient-pressure measurements of temperature-dependent magnetization, resistivity, and X-ray diffraction were made. Also, the…

The insulating ferrimagnet Cu2OSeO3 shows a rich variety of phases such as skyrmion lattice and helical magnetism controlled by interplay of different exchange interactions which can be tuned by external pressure. In this work we have…

Using first principles simulations we have investigated the structural and bonding properties of dense fluid oxygen up to 180 GPa. We have found that band gap closure occurs in the molecular liquid, with a "slow" transition from a…

Materials Science · Physics 2009-11-10 Burkhard Militzer , Francois Gygi , Giulia Galli

Topological semimetal, a novel state of quantum matter hosting exotic emergent quantum phenomena dictated by the non-trivial band topology, has emerged as a new frontier in condensed-matter physics. Very recently, a coexistence of triply…

Binary transition metal chalcogenides have attracted increasing attention for their unique structural and electronic properties. High pressure is powerful tool for tuning their crystal structure and electronic structure away from their…

Materials Science · Physics 2016-07-11 Zhao Zhao , Hua Wei , Wendy L. Mao

We use first principles calculations to study structural, vibrational and superconducting properties of H$_2$S at pressures $P\ge 200$ GPa. The inclusion of zero point energy leads to two different possible dissociations of H$_2$S, namely…

Cubic boron phosphide BP has been studied in situ by X-ray diffraction and Raman scattering up to 55 GPa at 300 K in a diamond anvil cell. The bulk modulus of B0 = 174(2) GPa has been established, which is in excellent agreement with our ab…

The superconducting transition in the layered organic compound \alpha-(BEDT-TTF)_2KHg(SCN)_4 has been studied in the two hydrostatic pressure regimes where a charge-density wave is either present or completely suppressed. Within the…

Superconductivity · Physics 2016-08-31 D. Andres , M. V. Kartsovnik , W. Biberacher , K. Neumaier , E. Schuberth , H. Mueller

We report high pressure X-ray diffraction and a detailed systematic Raman measurements on $ReS_2$ sample, which is mechanically exfoliated from a single crystal. A few new Bragg peaks are observed to emerge above 6 GPa indicating a…

Materials Science · Physics 2020-05-20 Pinku Saha , Bishnupada Ghosh , Aritra Mazumder , Konstantin Glazyrin , Goutam Dev Mukherjee