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Pressure induced phase transitions of MIAgIIF3 perovskites where M = K, Rb, Cs, have been predicted theoretically for the first time for pressures up to 100 GPa. The sequence of phase transitions for M = K and Rb consists of an orthorhombic…

Materials Science · Physics 2022-04-01 Łukasz Wolański , Marvin Metzelaars , Jan van Leusen , Paul Kögerler , Wojciech Grochala

X-ray diffraction (XRD) experiments have been carried out on quartz-like GaPO4 at high pressure and room temperature. A transition to a high pressure disordered crystalline form occurs at 13.5 GPa. Slight heating using a YAG infrared laser…

Condensed Matter · Physics 2009-10-31 James Badro , Jean-Paul Itie , Alain Polian

A heavy-fermion paramagnet UTe$_2$ has been a strong candidate for a spin-triplet superconductor. Experiments on UTe$_2$ under pressure have been vigorously conducted, and rich phase diagrams have been suggested. Multiple superconducting…

Strongly Correlated Electrons · Physics 2025-12-01 Makoto Shimizu , Youichi Yanase

This study conducts a comprehensive first-principles investigation of the IrMnAl Heusler alloy, highlighting its magnetic properties and assessing the effects of pressure-induced phase shift. The limitations of Generalized Gradient…

Materials Science · Physics 2024-10-11 Himanshu Joshi , Amel Laref , A. Yvaz , Dibya. P. Rai

Iron-chalcogenide superconductor Fe$_{1.03}$Se$_{0.5}$Te$_{0.5}$ has been investigated under high pressure using synchrotron based x-ray diffraction and mid-infrared reflectance measurements at room temperature. Pressure dependence of the…

Materials Science · Physics 2013-08-16 Pallavi S. Malavi , S. Karmakar , N. N. Patel , Surinder M. Sharma

X-ray diffraction measurements on the sphalerite-derivatives ZnGa2Se4 and CdGa2S4 have been performed upon compression up to 23 GPa in a diamond-anvil cell. ZnGa2Se4 exhibits a defect tetragonal stannite-type structure (I-42m) up to 15.5…

Materials Science · Physics 2008-09-29 D. Errandonea , R. S. Kumar , F. J. Manjon , V. V. Ursaki , I. M. Tiginyanu

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…

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…

This article discusses the pressure-induced structural phase transition and related phonon, electronic and optical properties of hexagonal {\epsilon}-GaSe using first-principles calculations. The study focuses on optimizing geometric and…

Materials Science · Physics 2023-05-23 Vo Khuong Dien

We present an investigation into the crystal structure of ErVO4 under variable pressure conditions. The high-pressure single crystal X-ray diffraction experiments performed employing helium as the pressure medium facilitated structure…

Pressure not only provides a powerful way to tune the crystal structure of transition metal dichalcogenides (TMDCs) but also promotes the discovery of exotic electronic states and intriguing phenomena. Structural transitions from the…

Superconductivity · Physics 2026-01-13 Feng Xiao , Wen Lei , Wei Wang , Carmine Autieri , Xiaojun Zheng , Xing Ming , Jianlin Luo

To study the effects appearing under mechanical stresses, we have used the model of glycinium phosphite ferroelectric, modified by taking into account the piezoelectric coupling of ordering structure elements with lattice strains. In the…

Materials Science · Physics 2018-09-27 I. R. Zachek , R. R. Levitskii , A. S. Vdovych

Two dimensional ferroic materials exhibit a variety of functional properties that can be tuned by temperature and pressure. CuInP2S6 is a layered material that is ferrielectric at room temperature and whose properties are a result of the…

Materials Science · Physics 2023-06-14 R. Rao , B. S. Conner , J. Jiang , R. Pachter , M. A. Susner

We investigated the evolution of ferromagnetism in layered Fe$_3$GeTe$_2$ flakes under different pressures and temperatures using in situ magnetic circular dichroism (MCD) spectroscopy. We found that the rectangle shape of hysteretic loop…

Mesoscale and Nanoscale Physics · Physics 2020-05-08 Heshen Wang , Runzhang Xu , Cai Liu , Le Wang , Zhan Zhang , Huimin Su , Shanmin Wang , Yusheng Zhao , Zhaojun Liu , Dapeng Yu , Jia-Wei Mei , Xiaolong Zou , Jun-Feng Dai

The present work reports on the new soft ferromagnetic Heusler phases Fe2NiGe, Fe2CuGa, and Fe2CuAl, which in previous theoretical studies have been predicted to exist in a tetragonal regular Heusler structure. Together with the known…

Materials Science · Physics 2014-04-18 T. Gasi , V. Ksenofontov , J. Kiss , S. Chadov , A. K. Nayak , M. Nicklas , J. Winterlik , M. Schwall , P. Klaer , P. Adler , C. Felser

Lattice dynamics and high pressure phase transitions in AWO4 (A = Ba, Sr, Ca and Pb) have been investigated using inelastic neutron scattering experiments, ab-initio density functional theory calculations and extensive molecular dynamics…

Materials Science · Physics 2015-06-22 Prabhatasree Goel , M. K. Gupta , R. Mittal , S. Rols , S. N. Achary , A. K. Tyagi , S. L. Chaplot

Layered multi-ferroic materials exhibit a variety of functional properties that can be tuned by varying the temperature and pressure. As-synthesized CuInP$_2$S$_6$ is a layered material that displays ferrielectric behavior at room…

Materials Science · Physics 2022-01-05 Rahul Rao , Benjamin S. Conner , Ryan Selhorst , Michael A. Susner

We report the temperature-pressure phase diagram of CaKFe$_4$As$_4$ established using high pressure electrical resistivity, magnetization and high energy x-ray diffraction measurements up to 6 GPa. With increasing pressure, both resistivity…

In the hidden order of URu2Si2 the resistivity at very low temperature shows no T^2 behavior above the transition to superconductivity. However, when entering the antiferromagnetic phase, the Fermi liquid behavior is recovered. We discuss…

Strongly Correlated Electrons · Physics 2015-05-19 E Hassinger , T D Matsuda , G Knebel , V Taufour , D Aoki , J Flouquet

We have investigated structural and magnetic phase transitions under high pressures in a quaternary rare earth transition metal arsenide oxide NdCoAsO compound that is isostructural to high temperature superconductor NdFeAsO. Four-probe…