相关论文: Local Structure and Spin Transition in Fe2O3 Hemat…

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…

The localized-itinerant nature of Ce-4$f$ valence electrons in heavy fermion compound CeIn$_{3}$ under pressure is studied thoroughly by means of the combination of density functional theory and single-site dynamical mean-field theory. The…

On experimental side, BaFe$_2$As$_2$ without doping has been made superconducting by applying appropriate pressure (2-6 GPa). Here, we use a full-potential linearized augmented plane wave method within the density-functional theory to…

Two-dimensional (2D) Fe-chalcogenides with rich structures, magnetisms and superconductivities are highly desirable to reveal the torturous transition mechanism and explore their potential applications in spintronics and nanoelectronics.…

We report new results of a 57Fe M\"ossbauer study of multiferroic 3R-AgFeO2 powder samples performed in a wide temperature range, including two points, TN1 ~ 14 K and TN2 ~ 9 K, of magnetic phase transitions. At the intermediate temperature…

While the tetragonal antiferro-electrically distorted (AFD) phase with space group $I4/mcm$ is well known for SrTiO$_3$ to occur below 105 K, there are also some hints in literature of an orthorhombic phase, either at lower temperature at…

In this paper, we present pressure dependent structural parameters and electronic structure of ThFeAsN superconductor. There are no anomalies in the structural parameters as well as elastic constants with hydrostatic pressure which is…

The phase stability of the MgMn2O4 spinel has been studied by means of high-pressure X-ray diffraction for pressures up to 30 GPa. Two samples with different inversion degrees have been considered. Both spinels undergo a phase transition…

The crystal and magnetic structures of the orthorhombic e-Fe2O3 have been studied by simultaneous Rietveld refinement of X-ray and neutron powder diffraction data in combination with Mossbauer spectroscopy, as well as magnetisation and heat…

We report here the first equation of state measurements of Fe$_2$O$_3$ obtained with laser-driven shock compression. The data are in excellent agreement with previous dynamic and static compression measurements at low pressure, and extend…

The isostructural transition in the tetragonal phase, with sizable change in the anion-height, is realized in heavily H-doped LaFeAsO and (La,P) co-doped CaFe$_2$As$_2$. In these compounds, the superconductivity with higher-Tc (40~50 K) is…

Synchrotron X-ray powder diffraction experiments reveal that the transition from a magnetic intermediate spin (IS) state to a nonmagnetic low-spin (LS) ground state in LaCoO3 normally observed when cooling, manifests itself under pressure…

On the basis of density functional theory electronic band structure calculations using the augmented spherical wave method, the electronic and magnetic properties of the orthorhombic and tetragonal phases of Ca3Mn2O7 were investigated and…

We study the electronic structure change of yttrium trihydride $\mathrm{YH_3}$ by applying a hydrostatic pressure. At zero pressure, $\mathrm{YH_3}$ has the structure with energy favored symmetry group $P\bar{3}c1$ (165). From first…

Oxygen and other light elements comprise up to 5 wt% of the Earth's outer-core, and may significantly influence its physical properties and the operation of the geodynamo. Here we report in situ x-ray diffraction measurements of Fe, Fe +…

Spin ordering in TbBaCo2O5.5 and its temperature transformation is studied. Polymorphism due to the oxygen ordering with the average content close to 5.5 is investigated. One of ceramic samples (I), in addition to the main phase ap x 2ap x…

By means of first-principles calculations we study the structural and electronic properties of a superlattice made of Sr2RuO4 and Sr3Ru2O7 ruthenate oxides. Due to the symmetry mismatch of the two systems a significant structural…

Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…

Skutterudites are promising materials for thermoelectric and spintronics applications. Here we explore spin fluctuations in the FeSb$_{3}$ skutterudite and their effect on its electronic structure using Hubbard-corrected density-functional…

Beyond 14GPa of pressure, bi-layered La$_3$Ni$_2$O$_7$ was recently found to develop strong superconductivity above the liquid nitrogen boiling temperature. An immediate essential question is the pressure-induced qualitative change of…