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The high-pressure behaviour of Na$_2$CuF$_4$ is explored by powder neutron diffraction and density functional theory (DFT) calculations. A first-order phase transition is observed to take place between 2.4 - 2.9 GPa, involving a…

The electronic structure, magnetism and phase stability of Pt2-xMn1+xGa(x=0, 0.25, 0.5, 0.75, 1) alloys are studied by first-principle calculations. The calculations reveal that a potential magnetic martensitic transformation can be…

Materials Science · Physics 2015-03-03 L. Feng , E. K. Liu , W. X. Zhang , W. H. Wang , G. H. Wu

In pursue of a systematic characterization of rare-earth vanadates under compression, in this work we present a multifaceted study of the phase behavior of zircon-type orthovanadate PrVO$_4$ under high pressure conditions, up until 24 GPa.…

We report an unconventional class of pressure induced quantum phase transition, possessing two bicritical points at 6.25 GPa in URhSn. This unique transformation accompanies a Fermi surface reconstruction, demarcating competing ordered…

First-principles-based atomistic simulations are used to reveal ferroelectric phases and phase transitions induced in a semiconductor ferroelectric, CsGeBr$_3$, by external loads: hydrostatic pressure, uniaxial and biaxial stresses, and…

Materials Science · Physics 2024-03-18 Joshua Townsend , Ravi Kashikar , S. Lisenkov , I. Ponomareva

We have determined the crystal structures and superconducting transition temperatures of La1.48Nd0.4Sr0.12CuO4 under nearly hydrostatic pressures in diamond anvil cells to 5.0 GPa and 19.0 GPa, respectively. Synchrotron x-ray powder…

We report a high-pressure study of monoclinic monazite-type SrCrO4 up to 26 GPa. Therein we combined x-ray diffraction, Raman and optical-absorption measurements with ab initio calculations, to find a pressure-induced structural phase…

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

Lithium, a prototypical simple metal under ambient conditions, has a surprisingly rich phase diagram under pressure, taking up several structures with reduced symmetry, low coordination numbers, and even semiconducting character with…

Materials Science · Physics 2019-04-26 Stephanie A. Mack , Sinéad M. Griffin , Jeffrey B. Neaton

A first-order-like resistivity hysteresis is induced by a subtle structural transition under hydrostatic pressure in the topological nodal-line superconductor PbTaSe$_2$. This structure transition is quickly suppressed to zero at pressure…

Superconductivity · Physics 2017-09-06 C. Q. Xu , R. Sankar , W. Zhou , Bin Li , Z. D. Han , B. Qian , J. H. Dai , Hengbo Cui , A. F. Bangura , F. C. Chou , Xiaofeng Xu

We studied the effects of high-pressure on the crystalline structure of bulk and nanocrystalline scheelite-type PbMoO4. We found that in both cases the compressibility of the materials is highly non-isotropic, being the c-axis the most…

Materials Science · Physics 2010-10-12 D. Errandonea , D. Santamaria-Perez , V. Grover , S. N. Achary , A. K. Tyagi

We investigate the charge and lattice states in a quasi-one-dimensional organic ferroelectric material, TTF-QCl$_{4}$, under pressures of up to 35 kbar by nuclear quadrupole resonance experiments. The results reveal a global…

We study how the ferroelastic domain structure sets in in an epitaxial film of a material with second order proper ferroelastic transition. The domain structures considered are similar to either $a_{1}/a_{2}/a_{1}/a_{2}$ or $c/a/c/a$…

Statistical Mechanics · Physics 2009-11-07 A. M. Bratkovsky , A. P. Levanyuk

In this paper, we revisit the high-pressure behavior of BaZrO3 by a combination of first-principle calculations, Raman spectroscopy, and x-ray diffraction under high pressure. We confirm experimentally the cubic-to-tetragonal transition at…

At ambient pressure, lithium molybdenum purple bronze (Li0.9Mo6O17) is a quasi-one dimensional solid in which the anisotropic crystal structure and the linear dispersion of the underlying bands produced by electronic correlations possibly…

Strongly Correlated Electrons · Physics 2021-06-15 M. K. Tran , A. Akrap , J. Levallois , J. Teyssier , P. Schouwink , C. Besnard , P. Lerch , J. W. Allen , M. Greenblatt , D. van der Marel

Superconductivity under pressure in FeSe ($T_{\rm c}$$\sim$7.5 K) has been investigated using single-crystal specimens through the measurements of DC magnetization and electrical resistivity. A characteristic three-step increase in $T_{\rm…

Experiments reveal that PbK2LiNb5O15 which belongs to the tetragonal tungsten bronze family presents paraelectric and ferroelectric phases and a complex structural change between them. High and low temperature phases are of symmetry P4/mbm…

We present high pressure electrical transport, magnetization, and single crystal X-ray diffraction data on SrCo2P2 single crystals. X-ray diffraction data show that there is a transition to a collapsed tetragonal structure for p ~> 10 GPa…

In a joint experimental and theoretical study, we investigate the isostructural collapse from the ambient pressure tetragonal phase to a collapsed tetragonal phase for non-superconducting metallic SrFe2As2 and SrFe_1.8Ru_0.2As_2. The…

Li2FeSiO4 is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h/g). However, its development has faced significant challenges arising from structural complexity and poor…

Materials Science · Physics 2016-11-15 P. Vajeeston , H. Fjellvåg