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High pressure synthesis of rhenium nitride pernitride ReN$_2$ with crystal structure unusual for transition metal dinitrides and high values of hardness and bulk modulus attracted significant attention to this system. We investigate the…

Pressure-induced emission enhancement and bandgap narrowing in vacancy-ordered halide double perovskite $Cs_2TeBr_6$ are extensively investigated through photoluminescence and absorption experiments. The below bandgap broad emission is…

We study the effect of substrate induced strain on the structural, transport, optical and electronic properties of Sr$_2$CoNbO$_6$ double perovskite thin films. The reciprocal space mapping, $\phi$-scan and high-resolution…

Materials Science · Physics 2020-08-19 Ajay Kumar , Rishabh Shukla , Akhilesh Pandey , Sandeep Dalal , M. Miryala , K. Ueno , M. Murakami , R. S. Dhaka

We study the temperature and pressure dependence of the structural and electronic properties of the iron pnictide superconductor BaFe2As2. We use density functional theory based Born-Oppenheimer molecular dynamics simulations to investigate…

Strongly Correlated Electrons · Physics 2013-08-06 Steffen Backes , Harald O. Jeschke

The perovskite antiferromagnetic ($T_{\rm N}$ $\sim$ 220 K) insulator EuNiO$_3$ undergoes at ambient pressure a metal-to-insulator transition at $T_{\rm MI}$ = 460 K which is associated with a simultaneous orthorhombic-to-monoclinic…

We have investigated the pressure-induced phase transition and superconducting properties of niobium disulfide (NbS$_2$) based on the density functional theory. The structures of NbS$_2$ at pressures from 0 to 200 GPa were predicted using…

Superconductivity · Physics 2014-10-31 Zhong-Li Liu , Ling-Cang Cai , Xiu-Lu Zhang

We report a room-temperature optical reflectivity study performed on [112]-oriented Cd$_3$As$_2$ single crystals over a broad energy range under external pressure up to 10 GPa. The abrupt drop of the band dispersion parameter…

Materials Science · Physics 2018-05-23 E. Uykur , R. Sankar , D. Schmitz , C. A. Kuntscher

We use the density functional perturbation theory to determine for the first time the pressure evolution of the Raman intensities for a mineral, the two high-pressure structures of MgSiO3 perovskite and post-perovskite. At high pressures,…

Materials Science · Physics 2015-06-25 Razvan Caracas , Ronald E. Cohen

We present a combined high-resolution x-ray diffraction and x-ray resonant magnetic scattering (XRMS) study of as-grown BaFe2As2. The structural/magnetic transitions must be described as a two-step process. At T_S = 134.5 K we observe the…

We investigate the pressure-driven structural and electronic evolution of PdSe\(_2\) using powder X-ray diffraction, Raman spectroscopy, and first-principles calculations. Beyond 2.3 GPa, suppression of the Jahn-Teller distortion induces…

We report the effects of hydrostatic pressure on the temperature-induced phase transitions in Fe1.08Te in the pressure range 0-3 GPa using synchrotron powder x-ray diffraction (XRD). The results reveal a plethora of phase transitions. At…

Superconductivity · Physics 2012-09-07 C. Koz , S. Rößler , A. A. Tsirlin , D. Kasinathan , C. Börrnert , M. Hanfland , H. Rosner , S. Wirth , U. Schwarz

Using $\textit{ab-initio}$ crystal structure prediction we study the high-pressure phase diagram of $\textit{A}BiO_3$ bismuthates ($A$=Ba, Sr, Ca) in a pressure range up to 100$~$GPa. All compounds show a transition from the low-pressure…

Strongly Correlated Electrons · Physics 2018-10-03 Andriy Smolyanyuk , Cesare Franchini , Lilia Boeri

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.…

In this paper we perform a high-pressure study of fergusonite-type HoNbO4. Powder x-ray diffraction experiments and ab initio density-functional theory simulations provide evidence of a phase transition at 18.9(1.1) GPa from the monoclinic…

Materials Science · Physics 2025-08-08 A. B. Garg , D. Errandonea , P. Rodriguez-Hernandez , A. Munoz

The structural properties under hydrostatic pressure up to 3 GPa of the layered rare earth carbide halide superconductor Y2C2I2 are studied by neutron powder diffraction at room temperature. The compressibilities are anisotropic, such that…

We report the simultaneous measurement of the structural and electronic components of the metal-insulator transition of VO$_2$ using electron and photoelectron spectroscopies and microscopies. We show that these evolve over different…

Strongly Correlated Electrons · Physics 2014-11-18 J. Laverock , S. Kittiwatanakul , A. A. Zakharov , Y. R. Niu , B. Chen , S. A. Wolf , J. W. Lu , K. E. Smith

The crystal structure of CH3NH3PbBr3 perovskite has been investigated under high-pressure by synchrotron-based powder X-ray diffraction. We found that after the previously reported phase transitions in CH3NH3PbBr3 (Pm-3m->Im-3->Pmn21),…

X-ray diffraction and Raman-scattering measurements on cerium vanadate have been performed up to 12 and 16 GPa, respectively. Experiments reveal that at 5.3 GPa the onset of a pressure-induced irreversible phase transition from the zircon…

We present a coordinated study of the paramagnetic-to-antiferromagnetic, rhombohedral-to-monoclinic, and metal-to-insulator transitions in thin-film specimens of the classic Mott insulator V$_2$O$_3$ using low-energy muon spin relaxation,…

Vitreous GeO$_2$ has been compressed at high temperature, to investigate the effect of thermal activation on the structural reorganization during compression. The measurements were performed in-situ using micro Raman spectroscopy under…

Applied Physics · Physics 2024-02-09 Antoine Cornet , Remy Molherac , Bernard Champagnon , Christine Martinet