Revisiting the magnetic structure of Holmium at high pressure by using neutron diffraction.

Low-temperature neutron diffraction experiments at [Formula: see text] GPa have been conducted to investigate the magnetic structures of metallic Holmium at high pressures by employing a long d-spacing high-flux diffractometer and a Paris-Edinburgh press cell inside a cryostat. We find that at [Formula: see text] GPa and [Formula: see text] K, no nuclear symmetry change is observed, keeping therefore the hexagonal closed packed (hcp) symmetry at high pressure. Our neutron diffraction data confirm that the ferromagnetic state does not exist.

Extreme phonon anharmonicity underpins superionic diffusion and ultralow thermal conductivity in argyrodite AgSnSe.

Ultralow thermal conductivity and fast ionic diffusion endow superionic materials with excellent performance both as thermoelectric converters and as solid-state electrolytes. Yet the correlation and interdependence between these two features remain unclear owing to a limited understanding of their complex atomic dynamics. Here we investigate ionic diffusion and lattice dynamics in argyrodite AgSnSe using synchrotron X-ray and neutron scattering techniques along with machine-learned molecular dynamics.

CO and CO adsorption mechanism in Fe(pz)[Pt(CN)] probed by neutron scattering and density-functional theory calculations.

We study the binding mechanism of CO and CO in the porous spin-crossover compound Fe(pz)[Pt(CN)] by combining neutron diffraction (ND), inelastic neutron scattering (INS) and density-functional theory (DFT) calculations. Two adsorption sites are identified, above the open-metal site and between the pyrazine rings. For CO adsorption, the guest molecules are parallel to the neighboring gas molecules and perpendicular to the pyrazine planes.

Large-scale oxygen order phase transitions and fast ordering kinetics at moderate temperatures in NdNiO electrodes.

Non-stoichiometric 214-nickelates with Ruddlesden-Popper (RP) type frameworks emerged as potential candidates for mixed electronic/ionic conductors in the intermediate temperature range. In this work we investigated structural aspects of the oxygen ion mobility diffusion mechanisms in non-stoichiometric NdNiO nickelates by X-ray (laboratory and synchrotron) as well by neutron diffraction. Temperature dependent synchrotron powder diffraction revealed a phase diagram of unprecedented complexity, involving a series of highly organized, 3D modulated phases related to oxygen ordering below 800 K.

Concomitant Thermochromic and Phase-Change Effect in a Switchable Spin Crossover Material for Efficient Passive Control of Day and Night Temperature Fluctuations.

The increasing environmental protection demand has prompted the development of passive thermal regulation systems that reduce temperature fluctuations in buildings. Here, it is demonstrated that the heat generated by the sun can trigger a spin crossover (SCO) in a molecule-base material, resulting in a concomitant color variation (from pink to white) and a phase transition. This leads to a cooling effect with respect to other thermochromic materials.