Related papers: Revealing the complex nature of bonding in binary …
Iron sesquioxide (Fe2O3) displays pressure and temperature induced spin and structural transitions. Our calculations show that, density functional theory (DFT), in the generalized gradient approximation (GGA) scheme, is capable of capturing…
We investigate the basic thermal, mechanical and structural properties of body centred cubic iron ($\alpha$-Fe) at several temperatures and positive loading by means of Molecular Dynamics simulations in conjunction with the embedded-atom…
We report the magnetic, dielectric and ferroelectric properties of polycrystalline iron vanadate(FeVO4), which has been recently found to exhibit multiferroicity in low temperature with noncollinear magnetic orderings. The influence of…
The enrichment of Fe, relative to alpha-elements such as O and Mg, represents a potential means to determine the age of quasars and probe the galaxy formation epoch. To explore how \ion{Fe}{2} emission in quasars is linked to physical…
Iron oxides are among the most abundant compounds on Earth and have consequently been studied and used extensively in industrial processes. Despite these efforts, concrete understanding of some of their surface phase structures has remained…
We report a comparative high-pressure study of two fluorite-type rare-earth oxides with increasing configurational entropy, (CePr)O$_{2-{\delta}}$ and (CePrLa)O$_{2-{\delta}}$. Synchrotron-based powder X-ray diffraction and Raman…
We provide evidence that high-pressure high-temperature (2.5 GPa and 1040 K) treatment of mixtures of iron with fullerene powders leads to the complete transformation of iron into iron carbide Fe$_3$C. The comparison of the magnetic…
We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…
We provide experimental and theoretical evidence for a novel type of pressure-induced insulator-metal transition characterized by site-selective delocalization of the electrons. M\"ossbauer spectroscopy, X-ray diffraction and electrical…
Fe and 2Si were co-deposited on Si (111) surface at 853 K. The formation of silicides was investigated by Mossbauer spectroscopy and electron microscopy. Depending on the thickness of the deposited films different phases were formed. At low…
We show the effect of composition on structural and magnetic characteristics of pure phase polycrystalline Ga<2-x>Fe<x>O<3> (GFO) for compositions between 0.8 <= x <= 1.3. X-ray analysis reveals that lattice parameters of GFO exhibit a…
A phenomenological model for the 'hidden order' transition in the heavy Fermion material URu$_2$Si$_2$ is introduced. The 'hidden order' is identified as an incommensurate, momentum-carrying hybridization between the light hole band and the…
The formation of energetically favourable and metastable mineral phases within the Fe-H2O system controls the long-term mobility of iron complexes as well as other aqueous phase constituents in natural aquifers, soils and other…
The electronic and magnetic properties of recently discovered new important constituent of the Earth's lower mantle FeO2H were investigated by means of the density functional theory combined with the dynamical mean field theory (DFT+DMFT).…
Y$_{0.9}$Gd$_{0.1}$Fe$_{2}$, which crystallizes in a C15 cubic structure, can absorb up to 5 H/f.u. and its pressure-composition isotherm displays a multiplateau behavior related to the existence of several hydrides with different crystal…
Using density-functional theory (DFT) we calculate the Gibbs free energy to determine the lowest-energy structure of a RuO_2(110) surface in thermodynamic equilibrium with an oxygen-rich environment. The traditionally assumed stoichiometric…
The measurements of the magnetic susceptibility, magnetization, electrical resistivity and magnetoresistance have been performed for the Fe intercalated compound Fe0.5TiS2. According to X-ray diffraction measurements the Fe0.5TiS2 compound…
We reexamine the spectroscopic underpinnings of recent suggestions that [O I] and [Fe II] lines from the Orion H II region are produced in gas where the iron-carrying grains have been destroyed and the electron density is surprisingly high.…
Hexagonal ferrites (h-RFeO$_3$, R=Y, Dy-Lu) have recently been identified as a new family of multiferroic complex oxides. The coexisting spontaneous electric and magnetic polarizations make h-RFeO$_3$ rare-case ferroelectric ferromagnets at…
Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic Fe$_2$O$_3$-FeTiO$_3$ solid solutions and heterostructures.…