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What characterises a solid is its way to respond to external stresses. Ordered solids, such crystals, display an elastic regime followed by a plastic one, both well understood microscopically in terms of lattice distortion and dislocations.…

Soft Condensed Matter · Physics 2016-12-21 Giulio Biroli , Pierfrancesco Urbani

The simple alkali metal Na, that crystallizes in a body-centred cubic structure at ambient pressure, exhibits a wealth of complex phases at extreme conditions as found by experimental studies. The analysis of the mechanism of stabilization…

Materials Science · Physics 2009-09-25 V F Degtyareva , O Degtyareva

We characterize a novel orthorhombic phase (gamma) of NaAlH4, discovered using first-principles molecular dynamics, and discuss its relevance to the dehydrogenation mechanism. This phase is close in energy to the known low-temperature…

Materials Science · Physics 2010-07-06 Brandon C. Wood , Nicola Marzari

We study the electronic and lattice dynamical properties of compressed solid germane in the pressure range up to 200 GPa with density functional theory. A stable metallic structure, Aba2, with a base-centered orthorhombic symmetry was found…

Superconductivity · Physics 2008-05-01 Chao Zhang , Yanling Li , Xiaojia Chen , Ruiqin Zhang , Haiqing Lin

We consider an off-lattice liquid crystal pair potential in strictly two dimensions. The potential is purely repulsive and short-ranged. Nevertheless, by means of a single parameter in the potential, the system is shown to undergo a…

Soft Condensed Matter · Physics 2012-07-17 H. H. Wensink , R. L. C. Vink

Alpha S8 is the most stable crystalline form, at ambient pressure and temperature (STP), of elemental sulfur. In this paper we analyze the zero pressure low temperature part of the phase diagram of this crystal, in order to test a simple…

Soft Condensed Matter · Physics 2009-10-31 C. Pastorino , Z. Gamba

We report experimental evidence for pressure instabilities in the model multiferroic BiFeO3 and namely reveal two structural phase transitions around 3 GPa and 10 GPa by using diffraction and far-infrared spectroscopy at a synchrotron…

Materials Science · Physics 2011-07-26 R. Haumont , P. Bouvier , A. Pashkin , K. Rabia , S. Frank , B. Dkhil , W. A. Crichton , C. A. Kuntscher , J. Kreisel

The liquid crystalline compound, forming the glass of the smectic C$_A$* phase, is investigated by the X-ray diffraction in the 18-298 K range. The characteristic distances within the smectic C$_A$* phase are determined. The electron…

Structural phase transitions in Pr$_{1-x}$La$_x$AlO$_3$ (0 $\leq x\leq$ 1) single crystals have been studied through heat capacity and high-resolution x-ray scattering measurements. For PrAlO$_3$, the heat capacity shows a sharp first-order…

Strongly Correlated Electrons · Physics 2014-05-19 Makoto Tachibana , Katharina Fritsch , Bruce D. Gaulin

High energy x-ray diffraction is used to investigate the bulk oxygen ordering properties of YBa_2Cu_3O_{6+x}. Superstructures of Cu-O chains aligned along the b axis and ordered with periodicity ma, along the a axis have been observed. For…

Through powder x-ray diffraction we have investigated the structural behavior of SmVO3, in which orbital and magnetic degrees of freedom are believed to be closely coupled to the crystal lattice. We have found, contrary to previous reports,…

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…

Computational searches for structures of solid oxygen under pressures in the multi TPa range have been carried out using density-functional-theory methods. We find that molecular oxygen persists to about 1.9 TPa at which it transforms into…

Materials Science · Physics 2012-07-06 Jian Sun , Miguel Martinez-Canales , Dennis D. Klug , Chris J. Pickard , Richard J. Needs

The work discusses specifics of phase transitions for metastable states of substances. The objects of condensed media physics are primarily equilibrium states of substances with metastable phases viewed as an exception, while the…

Materials Science · Physics 2009-11-11 V. V. Brazhkin

Thin films of HfO2 doped with 4% La were fabricated on LSMO/STO (100) substrates using pulsed laser deposition. The stability of the ferroelectric orthorhombic phase in the hafnia films was investigated with respect to varying oxygen…

Materials Science · Physics 2023-08-16 Badari Narayana Rao , Shintaro Yasui , Hiroko Yokota

Metastable aluminum-alloyed $\delta$-plutonium shrinks rapidly and pure $\alpha$-plutonium swells rapidly at 4 K. At ambient temperature alloyed $\delta$-plutonium swells about $10^{-3}$ as fast as it shrinks at 4 K, but its bulk density…

Materials Science · Physics 2026-04-28 J. K. Katz , A. Rollett , R. J. Hemley

High temperature powder neutron diffraction experiments have been conducted around the reported beta-gamma, insulator-metal phase transition (~ 930 C) in BiFeO3. The results demonstrate that while a small volume contraction is observed at…

We follow the structural transformation in solid C$_{70}$ from the high temperature hcp to a low temperature monoclinic phase using x-ray diffraction studies at controlled cooling-rates from 0.0033 to 0.42 K/min. Rapid cooling of the sample…

Materials Science · Physics 2009-10-31 G. Ghosh , V. S. Sastry , C. S. Sundar , Surajit Sengupta , T. S. Radhakrishnan

The temperature (T) dependent x-ray diffraction (XRD) and resistivity measurements of La0.175Pr0.45Ca0.375MnO3 (LPCMO) have been performed down to 2K to understand the structural and transport properties. From room temperature down to 220K,…

Materials Science · Physics 2016-06-22 Shivani Sharma , Aga Shahee , Kiran Singh , N. P. Lalla

$\delta$-Bi$_2$O$_3$ is one of the fastest known solid oxide ion conductors owing to its intrinsically defective fluorite-like structure with 25\% vacant sites in the O sub-lattice. Numerous diffraction measurements and molecular dynamics…

Materials Science · Physics 2022-05-27 Rituraj Sharma , Nimrod Benshalom , Maor Asher , Thomas M. Brenner , Anna Kossi , Omer Yaffe , Roman Korobko