Related papers: Pressure-Induced Low-Spin State Destabilization an…
We report on the synthesis of a new $\gamma$-phase of the spin $S$~=~$\frac{3}{2}$ compound SrCo$_2$(PO$_4$)$_2$ together with a detailed structural, magnetic and thermodynamic properties. The $\gamma$-phase of SrCo$_2$(PO$_4$)$_2$…
Materials based on spin crossover (SCO) molecules have centred the attention in Molecular Magnetism for more than forty years as they provide unique examples of multifunctional and stimuli-responsive materials, which can be then integrated…
Synchrotron X-ray powder diffraction experiments reveal that the transition from a magnetic intermediate spin (IS) state to a nonmagnetic low-spin (LS) ground state in LaCoO3 normally observed when cooling, manifests itself under pressure…
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…
A fully ab initio scheme based on quantum chemical wavefunction methods is used to investigate the correlated multiorbital electronic structure of a 3d-metal compound, LaCoO3. The strong short-range electron correlations, involving both Co…
The structural properties of LaCoO3 were studied by means of high-resolution neutron powder diffraction in the temperature range 5<T<1000 K. Changes of the Co+3 spin states in this temperature interval are shown to affect not only the unit…
Realization of spin crossover (SCO) based applications requires studying of spin state switching characteristics of SCO complex molecules at nanostructured environments especially on-surface. Except for a very few cases, the SCO of a…
We report on the photoinduced spin crossover (SCO) transition from a 2HS-2LS to a 3HS-1LS state in a [2x2] Fe(II) metallogrid complex using molecular crystals with static photocrystallography at a first ever attempt in the beamline P11 of…
The doping series Eu1-xCaxCoO3-d provides a rather peculiar way to study the spin-state transition in cobalt-based complex oxides since partial substitution of Eu3+ ions by Ca2+ ions does not increase the mean valence state of cobalt but is…
The radical anion salt [Fe{HC(pz)3}2](TCNQ)3 demonstrating conductivity and spin-crossover transition (SCO) associated with Fe(II) complex cation subsystem has been synthesized and structurally characterized. A pronounced change of the dc…
We investigate the structural, magnetic, and thermodynamic properties of \BSCO\ ($x$ = 0.04, $\delta$ = 0.54), a hexagonal perovskite featuring face-sharing CoO$_6$ octahedra that forms Co dimers. DC and AC magnetization measurements reveal…
In spin crossover materials, an abrupt phase transition between a low spin state and a high spin state can be driven by temperature, pressure or by light irradiation. Of a special relevance are Fe(II) based coordination polymers where, in…
The spin crossover of iron in Fe$^{3+}$-bearing bridgmanite, the most abundant mineral of the Earth's lower mantle, is by now a well-established phenomenon, though several aspects of this crossover remain unclear. Here we investigate…
We study theoretically low-temperature phases of a recently synthesized compound Sr$_2$CoO$_3$F under pressure. The analysis combining LDA+DMFT and a strong-coupling effective model points to the existence of not only normal paramagnetic…
The spin states and electronic structure of layered perovskite La1.5Ca0.5CoO4 are investigated using fullpotential linearized augmented plane-wave method. All the computational results indicate that the Co2+ ion is in a high-spin state and…
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 present a study of the structure, the electric resistivity, the magnetic susceptibility, and the thermal expansion of La$_{1-x}$Eu$_x$CoO$_3$. LaCoO$_3$ shows a temperature-induced spin-state transition around 100 K and a metal-insulator…
Heisenberg spin-1/2 chain materials are known to substantially alter their static and dynamic properties when experiencing an effective transverse staggered field originating from the varying local environment of the individual spins. We…
We demonstrate thermally switchable chiroptical activity in a chiral spin crossover (SCO) material, where circular dichroism is significant in the low spin state but quenched in the high-spin state for both enantiomers. With magnetometry we…
Spin-orbit coupling (SOC) offers a large variety of novel and extraordinary magnetic and electronic properties in otherwise `ordinary pool' of heavy ion oxides. Here we present a detailed study on an apparently isolated hexagonal 2$H$…