相关论文: Spin states of iron impurities in magnesium oxide …

Spin crossover of iron is of central importance in solid Earth geophysics. It impacts all physical properties of minerals that altogether constitute $\sim 95$ vol\% of the Earth's lower mantle: ferropericlase [(Mg,Fe)O] and Fe-bearing…

Ferropericlase, (Mg,Fe)O, is the second-most abundant mineral of the Earth's lower mantle. With increasing pressure, the Fe ions in the material begin to collapse from a magnetic to non-magnetic spin state. We present a finite-temperature…

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…

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…

We perform density functional calculations of the equilibrium 57Fe/54Fe ratios for ferrous iron dissolved in periclase and MgSiO3 perovskite at the pressures and temperatures of the Earth's mantle. Pressure increases the partitioning of…

Iron-bearing oxides undergo a series of pressure-induced electronic, spin and structural transitions that can cause seismic anomalies and dynamic instabilities in Earth's mantle and outer core. We employ x-ray diffraction and x-ray emission…

The magnetic properties of the double perovskite oxide $Sr_{2}$FeMo$O_{6}$ are analyzed using a mixed-spin Ising model with spins $\left( \frac{1}{2},\frac{5}{2}\right) $ in the presence of a random crystal field $\Delta$ and exchange…

The results of magnetic and spectral properties calculation for paramagnetic phase of ferropericlase (Fe$_{1/4}$Mg$_{3/4}$)O at ambient and high pressures are reported. Calculations were performed by combined Local Density Approximation +…

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…

MgGeO$_3$-perovskite is known to be a low-pressure analog of MgSiO$_3$-perovskite in many respects, but especially in regard to the post-perovskite transition. As such, investigation of spin state changes in Fe-bearing MgGeO$_3$ might help…

Muon spin relaxation measurements are reported on samples of dimethylammonium metal formates containing magnetic divalent nickel, cobalt, manganese, and copper ions. These hybrid organic-inorganic perovskites exhibit weak ferromagnetism and…

Fe-bearing MgO [(Mg$_{1-x}$Fe$_x$)O] is considered a major constituent of terrestrial exoplanets. Crystallizing in the B1 structure in the Earth's lower mantle, (Mg$_{1-x}$Fe$_x$)O undergoes a high-spin ($S=2$) to low-spin ($S=0$)…

Spin crossover plays a central role in the structural instability, net magnetic moment modification, metallization, and even in superconductivity in corresponding materials. Most reports on the pressure-induced spin crossover with a large…

(MgFe)O is a solid solution with ferrous iron undergoing the high to low spin state (HS-LS) crossover under high pressure. The exact state of the material in the region of the crossover is still a mystery, as domains with different spin…

We explore theoretically impurity states in the antiferromagnetic spin-density wave state of the iron arsenide. Two types of impurity models are employed: one has only the intraband scattering while the other has both the intraband and…

The iron spin crossover in ferropericlase introduces anomalies in its thermodynamics and thermoelastic properties. Here we investigate how these anomalies can affect the lower mantle geotherm. The effect is examined in mantle aggregates…

Earth's lower mantle is generally believed to be seismically and chemically homogeneous because most of the key seismic parameters can be explained using a simplified mineralogical model at expected press-temperature conditions. However,…

Ferropericlase (Fp), (Mg$_\mathrm{1-x}$Fe$_\mathrm{x}$)O, is the second most abundant phase in the Earths lower mantle. At relevant pressure-temperature conditions, iron in Fp undergoes a high spin (HS), S=2, to low spin (LS), S=0, state…

The ground state properties of a high spin magnetic impurity and its interaction with an electronic spin are probed via Andreev reflection. We see that through the charge and spin conductance one can effectively estimate the interaction…

Spin states and persistent currents are investigated theoretically in a mesoscopic ring with an embedded magnetic ion under a uniform magnetic field including the spin-orbit interactions. The magnetic impurity acts as a spin-dependent…