Related papers: Structural behavior of uranium dioxide under press…
Structural and magnetic properties of the CoMn$_{0.88}$Cu$_{0.12}$Ge compound have been investigated using X-ray diffraction (XRD) and differential scanning calorimetry (DSC) accompanied with investigation of magnetic properties under…
We present a comprehensive first--principles study of the structural stability and superconducting behavior of Li$_2$PdH$_2$ under high pressure. Using random structure searching and phonon calculations, we identify a pressure--induced…
The effects of high pressure on the crystal structure of orthorhombic (Pnma) perovskite type cerium scandate have been studied in situ under high pressure by means of synchrotron x-ray powder diffraction, using a diamond anvil cell. We have…
We present electrical resistance measurements of elemental yttrium on bulk and film samples, and both exhibit superconductivity at very high pressures. We show that the pressure dependence of the superconducting transition temperature above…
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…
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…
$\rm{RuO_2}$ stands as a quintessential rutile-type compound under ambient conditions, with its structural exploration under pressure bearing significant implications for both phase transition investigations and Earth science. Nonetheless,…
We study the effects of hydrostatic pressure in the range 0.0--2.0 GPa on anion mobility in the orthorhombic $Pnma$ phase of CsPbBr$_{3}$. Using density functional theory and the climbing nudged elastic band method, we calculate the…
In this paper, we present a thorough investigation of vibrational, structural, and electronic properties of perovskite-type rhombohedral Ba$_2$ZnTeO$_6$ (BZTO) under systematic application of pressure. To carry out the analysis, we have…
A room-temperature infrared spectroscopy study of elemental tellurium at pressures up to 8.44 GPa in the energy range 0.015-2 eV is reported. Optical signatures of the high-pressure polymorphs are investigated and compared to the results of…
Studies of the behaviour of solids at ultra-high pressures, those beyond 200 GPa, contribute to our fundamental understanding of materials properties and allow an insight into the processes happening at such extreme conditions relevant for…
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…
We report the results of both angle-dispersive x-ray diffraction and x-ray absorption near-edge structure studies in BaWO4 and PbWO4 at pressures of up to 56 GPa and 24 GPa, respectively. BaWO4 is found to undergo a pressure-driven phase…
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…
We present a combined theoretical and experimental study of the electronic structure and equation of state (EOS) of crystalline PdN2. The compound forms above 58 GPa in the pyrite structure and is metastable down to 11 GPa. We show that the…
The transition metal dichalcogenide PdTe$_2$ has attractive features based on its classification as a type-II Dirac semimetal and the occurrence of type-I superconductivity, providing a platform for discussion of a topological…
We investigate the effect of pressure on the electronic and magnetic states of CdV$_2$O$_4$ by using ab initio electronic structure calculations. The Coulomb correlation and spin-orbit coupling play important role in deciding the…
Raman spectroscopic studies have been carried out on CaCrO4 under pressure up to 26GPa at ambient temperature. The Raman spectra showed CaCrO4 experienced a continuous structural phase transition started at near 6GPa, and finished at about…
The structural evolution and superconductivity of a 122-type solid solution Sr1-xBaxNi2P2 were studied. We found that an orthorhombic-tetragonal structural phase transition takes place at x = 0.5, and is characterized by the P-P dimers…
The sound velocities dependencies on temperature V(T) were measured by means of resonance method have on the thin plates of quasimonocrystalline manganites La(1-x)Sr(x)MnO3. Results are presented for x=0.1, 0.125, 0.15, 0.175 and 0.2 in the…