相关论文: Multiferroic CuCrO2 under High Pressure: In-Situ X…

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…

This study reports the synthesis and physical properties of polycrystalline Dy$_2$CoCrO$_6$ (DCCO) nanoparticles. Analysis of the powder X-ray diffraction (XRD) pattern using Rietveld refinement showed that the compound crystallizes in an…

We have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different polymorphs; trigonal…

The crystal structure of the layered, perovskite-related LaTiO_3.41 (La_5Ti_5O_{17+\delta}) has been studied by synchrotron powder x-ray diffraction under hydrostatic pressure up to 27 GPa (T = 295 K). The ambient-pressure phase was found…

We report a detailed experimental and theoretical study on the effect of hydrostatic pressure on the structural and magnetic aspects of the layered honeycomb antiferromagent $\alpha$-RuCl$_{3}$. Magnetic susceptibility measurements…

The structural properties of Na2RuO3 under pressure are studied using density functional theory within the generalized gradient approximation (GGA). We found that one may expect a structural transition at ~ 3 GPa. This structure at the…

The optical absorption of CdWO$_4$ is reported at high pressures up to 23 GPa. The onset of a phase transition was detected at 19.5 GPa, in good agreement with a previous Raman spectroscopy study. The crystal structure of the high-pressure…

The effect of hydrostatic pressure up to 27 GPa on the Raman scattering (RS) in bulk HfS$_2$ is investigated. There are two transformations of RS spectra, which take place during compression at pressure between 5.7 GPa and 9.8 GPa as well…

We report a density-functional theory study of the structural and electronic properties of Cd2V2O7 under high-pressure conditions. The calculations have been performed by using first-principle calculations with the CRYSTAL program. The…

Structural properties of CuAl$_{2}$O$_{4}$, which was recently argued to show unusual suppression of the Jahn-Teller distortions by the spin-orbit coupling, are investigated under pressures up to 6 GPa. Analysis of X-ray powder diffraction…

We succeeded in observing pressure-suppressed magnetic long range ordering (LRO) in the triangular lattice antiferromagnet CuFeO$_{2}$, using neutron diffraction experiments under an isotropic pressure. The magnetic LRO of the…

The structure of the quasi two dimensional heavy fermion antiferromagnet CeRhIn$_{5}$ has been investigated as a function of pressure up to 13 GPa using a diamond anvil cell under both hydrostatic and quasihydrostatic conditions at room…

At room temperature, bismuth undergoes several structural transitions with increasing pressure before taking on a body-centered cubic (bcc) phase at approximately 8 GPa. The bcc structure is stable to the highest measured pressure and its…

Solid CS$_{2}$ is superficially similar to CO$_{2}$, with the same $Cmca$ molecular crystal structure at low pressures, which has suggested similar phases also at high pressures. We carried out an extensive first principles evolutionary…

Severe plastic deformation using high-pressure torsion of ternary Cu-based materials (CuFeCo and CuFeNi) was used to fabricate bulk samples with a nanocrystalline microstructure. The goal was to produce materials featuring the granular…

We report on the crystallographic information such as lattice parameters, atomic positions, bond lengths and angles, and local crystalline distortion size and mode of single-crystal YCrO$_3$ compound by a high-resolution synchrotron X-ray…

Layered delafossite-type compounds and related transition metal dichalcogenides, characterized by their triangular net structures, serve as prototypical systems for exploring the intricate interplay between crystal structure and magnetic…

The use of pressure to obtain new materials that can be recovered under ambient conditions is a central problem in high-pressure physics. Despite decades of research, this goal has only been achieved in the laboratory for a few notable…

To investigate the pressure-induced structural transitions of chromium dioxide (CrO$_{2}$), phonon dispersions and total energy band structures are calculated as a function of pressure. The first structural transition has been confirmed at…

The stability of different stoichiometric H$_n$Br ($n$=1-7) compounds under pressure are extensively studied using density functional theory calculations. Five new energetically stable stoichiometries of H$_2$Br, H$_3$Br, H$_4$Br, H$_5$Br,…