相关论文: Spin crossover in ferropericlase from first-princi…

In many transition metal compounds, in particular those containing Fe^{2+} and Co^{3+}, there occur spin-state transitions between low-spin and high-spin (or intermediate-spin) states. We show that typical interactions between similar…

We formulate a theory of double perovskite coumpounds such as Sr$_2$FeReO$_6$ and Sr$_2$FeMoO$_6$ which have attracted recent attention for their possible uses as spin valves and sources of spin polarized electrons. We solve the theory in…

From magnetic susceptibility, dielectric permittivity, electric polarization and specific heat measurements, we discover spin-induced ferroelectricity and magnetoelectric coupling in Mn3TeO6 and observe two successive magnetic transitions…

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…

Earth's interior consists primarily of an insulating rocky mantle and a metallic iron-dominant core. Recent work has shown that mountain-scale structures at the core-mantle boundary may be highly enriched in FeO reported to exhibit high…

Joint interpretation of bulk and shear wave speeds constrains the chemistry of the deep mantle. At all depths, the diversity of wave speeds cannot be explained by an isochemical mantle. Between 1000 and 2500 km depth, hypothetical mantle…

The macroscopic magnetizations of a RuSr2(Eu0.7Ce0.3)2Cu2O10+d sample were investigated. A ferromagnet-like transition occurs around T_M in the low-field magnetization. Highly nonlinear M(H), non-Curie-Weiss susceptibility, and slow…

The perpendicular magnetic anisotropy (PMA) arising at the interface between ferromagnetic transition metals and metallic oxides are investigated via first-principles calculations. In this work very large values of PMA up to 3 erg/cm$^2$ at…

In this review, we outline the important results on the resistivity encountered by an electron in magnetically ordered materials. The mechanism of the collision between the electron and the lattice spins is shown. Experiments on the spin…

The investigation of the magnetic phase transitions in the parent compounds of Fe-based superconductors is regarded essential for an understanding of the pairing mechanism in the related superconducting compounds. Even though the chemical…

Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…

Fe$_3$Ga$_4$ possesses a helical spin spiral with a complex competition between ferromagnetic and antiferromagnetic ground states. This competition generates multiple metamagnetic transitions that are governed by both applied magnetic field…

We show that ions at the low densities and high magnetic fields relevant to the outer crust of magnetars form a novel crystalline phase where ions are strongly coupled along the magnetic field and loosely coupled in the transverse…

The Fe electronic structure and magnetism in (i) monoclinic Ca$_2$FeReO$_6$ with a metal-insulator transition at $T_{MI} \sim 140$ K and (ii) quasi-cubic half-metallic Ba$_2$FeReO$_6$ ceramic double perovskites are probed by soft x-ray…

(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…

This work reports on the band structure and magneto-transport investigations of the inverse Heusler compound Fe2CoSi. The first-principles calculations reveal that Fe2CoSi has a very peculiar band structure with a conducting property in the…

We present a detailed first principles study on the magnetic structure of an Fe monolayer on different surfaces of 5d transition metals. We use the spin-cluster expansion technique to obtain parameters of a spin model, and predict the…

High pressure can provoke spin transitions in transition metal-bearing compounds. These transitions are of high interest not only for fundamental physics and chemistry, but also may have important implications for geochemistry and…

Recent experiments on Pd$_{3}$Fe intermetallics [Phys. Rev. Lett. 102, 237202 (2009)] have revealed that the system behaves like a classical invar alloy under high pressure. The experimental pressure-volume relation suggests an anomalous…

It is argued that the formation of the non-magnetic state of FeS in external pressures above 6.5 GPa is in agreement with the prediction of the quantum atomistic solid-state theory, an extension of the crystal-field theory with the…