a r t i c l e i n f o Keywords: spin crossover intermediate spin quadrupole splitting iron-bearing perovskite lower mantle With the guidance of first-principles phonon calculations, we have searched and found several metastable equilibrium sites for substitutional ferrous iron in MgSiO 3 perovskite. In the relevant energy range, there are two distinct sites for high-spin, one for low-spin, and ...

A photo-crystallographic study of Fe(btr)2(NCS)2.H2O was performed in order to describe the modification of structures and charge densities on going from the ground low spin (LS) state to the metastable high spin (HS) state during the LIESST phenomenon at 15K. Related photo-magnetic and spectroscopic measurements are also described. We show that at 15K, the thermally quenched and photo-induced ...

The photomagnetic properties of the following iron(II) complexes have been investigated: [Fe(L1)2][BF4]2, [Fe(L2)2][BF4]2, [Fe(L2)2][ClO4]2, [Fe(L3)2][BF4]2, [Fe(L3)2][ClO4]2 and [Fe(L4)2][ClO4]2 (L1 = 2,6-di{pyrazol-1-yl}pyridine; L2 = 2,6-di{pyrazol-1-yl}pyrazine; L3 = 2,6-di{pyrazol-1-yl}-4-{hydroxymethyl}pyridine; and L4 = 2,6-di{4-methylpyrazol-1-yl}pyridine). Compounds display a complete ...

We report a novel pressure-driven spin crossover in layered cobalt oxyfluoride Sr2CoO3F with a distorted CoO5 square pyramid loosely bound with a fluoride ion. Upon increasing pressure, the spin state of the Co(III) cation gradually changes from a high spin state (S = 2) to a low spin state (S = 0) accompanied by a anomalously large volume contraction (bulk modulus, 76.8(5) GPa). The spin state...

In many transition metal compounds, in particular those containing Fe and Co, there occur spin-state transitions between low-spin and high-spin (or intermediate-spin) states. We show that typical interactions between similar spin-state ions are short-range repulsion, and long-range interaction which can have a different sign depending on the elastic anisotropy of the lattice and on the directio...

We report X-ray emission spectra of Fe(III), Fe(II), and Co(II) spin-crossover compounds in their high-spin and low-spin forms. It is shown that all X-ray emission features are sensitive to the spin state. Variations of the Kbeta and the Kalpha emission line shapes, which are in agreement with theory, can be used as quantitative probes of the spin state; it is suggested that with appropriate re...

Reported herein are the synthesis, structural and magnetic characterisation of a dinuclear FeII triple helicate that displays an unprecedented reversible asymmetric high spin to low spin crossover characterised by a thermal hysteresis: indeed the high spin state can be recovered by white light irradiation at 10 K.

The electronic structure of the perovskite La1−xSrxCoO3 has been obtained as a function of Sr substitution and volume from a series of generalizedgradient-corrected, full-potential, spin-density-functional band structure calculations. The energetics of different spin configurations are estimated using the fixed-spin-moment (FSM) method. From the total energy vs spin magnetic moment curve for La...

We consider a normal lead coupled to a Majorana bound state. We show that the spin-resolved current correlations exhibit unique features which distinguish Majorana bound states from other low-energy resonances. In particular, the spin-up and spin-down currents from a Majorana bound state are anticorrelated at low bias voltages, and become uncorrelated at higher voltages. This behavior is indepe...

The thermodynamic properties of the photomagnetic Prussian blue analog K0.3Co[Fe(CN)6]0.77 · 3.6H2O, which exhibits a charge-transfer-induced spin transition (CTIST), are reported. According to the thermal history of the sample, different low-temperature states are obtained: a quenched high-spin state (Q), a low-spin state (LT) achieved through the decay of the Q state, and an intermediate stat...