Related papers: Spin crossover in FeO under shock compression

We have investigated the effect of pressure on the electronic, magnetic, and structural properties on a single crystal of conducting, ferromagnet (T$_{C}$=157K) La$_{0.82}$Sr$_{0.18}$CoO$_{3}$ located near the boundary of the…

Ferropericlase (fp), (Mg$_{1-x}$Fe$_x$)O, the second most abundant mineral in the Earth's lower mantle, is expected to be an essential component of super-Earths' mantles. Here we present an ab initio investigation of the structure and…

Ferromagnesite (Mg,Fe)CO3, also referred to as magnesiosiderite at high iron concentration, is a solid solution of magnesite (MgCO3) and siderite (FeCO3). Ferromagnesite is believed to enter the Earth's lower mantle via subduction and is…

The spin transition in LaCoO3 is investigated by temperature-dependent resonant soft X-ray emission spectroscopy near the Co 2p absorption edges. This element-specific technique is more bulk sensitive with respect to the temperature induced…

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…

Using configuration-state-constrained electronic structure calculations based on the generalized gradient approximation plus Hubbard U method, we sought the origin of the giant tetragonal ferroelectric distortion in the ambient phase of the…

Iridates provide a fertile ground to investigate correlated electrons in the presence of strong spin-orbit coupling. Bringing these systems to the proximity of a metal-insulator quantum phase transition is a challenge that must be met to…

The high-pressure phases of FeO and MnO were studied by the first principles calculations. The present theoretical study predicts that the high-pressure phase of MnO is a metallic normal B8 structure (nB8), while that of FeO should take the…

Neutron and X-ray diffraction, magnetic susceptibility, and specific heat measurements have been used to investigate the magnetic and structural phase transitions of the spinel system Fe1+xCr2-xO4(0.0<=x<=1.0). The temperature versus Fe…

CoO has an odd number of electrons in its unit cell, and therefore is expected to be metallic. Yet, CoO is strongly insulating owing to significant electronic correlations, thus classifying it as a Mott insulator. We investigate the…

Ferropericlase, (Mg,Fe)O is one of the most abundant minerals of the Earth's lower mantle. The high-spin (HS) to low-spin (LS) transition in the Fe2+ ions can dramatically alter the physical and chemical properties of (Mg,Fe)O in the deep…

Overdoped cuprate superconductors are strange metals above their superconducting transition temperature. In such materials, the electrical resistivity has a strong linear dependence on temperature ($T$) and electrical current is not carried…

X-ray diffraction pressure studies at room temperature demonstrate that the spinel FeAl$_{2}$O$_{4}$ transforms to a tetragonal phase at ~18 GPa. This tetragonal phase has a highly irregular unit-cell volume versus pressure dependence up to…

We propose a minimal model describing magnetic behavior of Fe-based superconductors. The key ingredient of the model is a dynamical mixing of quasi-degenerate spin states of Fe2+ ion by intersite electron hoppings, resulting in an effective…

Interfacing complex oxides in atomically engineered layered structures can give rise to a wealth of exceptional electronic and magnetic properties that surpass those of the individual building blocks. Herein, we demonstrate a ferromagnetic…

Oxygen solubility in solid iron is extremely low, even at high pressures and temperatures. Thus far, no Fe-O compounds between Fe and FeO endmembers have been reported experimentally. We observed chemical reactions of Fe with FeO or…

The 57Fe M\"ossbauer spectroscopy was applied to an iron-based layered superconductor LaO0.89F0.11FeAs with a transition temperature of 26 K and its parent material LaOFeAs. Throughout the temperature range from 4.2 to 298 K, a singlet…

The partial density of vibrational states has been measured for Fe in compressed FeO (w\"ustite) using nuclear resonant inelastic x-ray scattering. Substantial changes have been observed in the overall shape of the density of states close…

Polarization induced spin switching of atoms in magnetic materials opens for possibilities to design and develop advanced spintronic devices, in particular, storage devices where the magnetic state can be controlled by an electric field. We…

Spin-state ordering - a periodic pattern of ions with different spin-state configurations along a crystal lattice - is a rare phenomenon, and its possible interrelation with other electronic degrees of freedom remains little explored. Here…