37 datasets found

Research data measured during the TELBE beamtime in March 2022 for the proposal 21202600 (THz-induced structural phase transition in hybrid perovskites). PI: Heejae Kim,...

The development of unified regenerative fuel cells (URFC) necessitates an active and stable bifunctional oxygen electrocatalyst. The unique challenge of possessing high activity...

We calculate the screened electron-electron interaction for the charge-disproportionated insulator CaFeO₃ using the constrained random-phase approximation (cRPA). While in many...

We present a method to constrain local charge multipoles within density-functional theory. Such multipoles quantify the anisotropy of the local charge distribution around atomic...

The study of novel manganites, where the tailoring of the Mn formal valence state on the B site is done by the ordering of different cations on the A site of the ABO3 (B:Mn)...

The Dzyaloshinskii-Moriya interaction is thought to be responsible for the stabilization of weak ferromagnetism or magnetic spiral states in a number of diverse systems. An...

We have synthesised the ill characterised perovskite PbRuO3 at high pressure and temperature. Synchrotron powder x-ray diffraction shows the room temperature structure to be...

We request one day of beam-time on POLARIS to collect Neutron Diffraction (ND) data from three novel 12H-type hexagonal perovskites that exhibit higher than expected...

It has always been assumed that CaSnO3 perovskite remains orthorhombic (Pbnm) as a function of temperature up to its melting point, and is rather unremarkable in many ways....

Multiferroics - where ferroelectric and magnetic orders co-exist - continue to be of technological and scientific importance, and of particular interest are the improper...

Our work on LSTN showed that it exhibits favourable electrochemical properties, i.e. rapid diffusion of lithium into the structure at low temperatures and the ability to...

The heat capacity and neutron powder diffraction measurements of the double perovskites La2NaB′O6 (B = Ru5+, Os5+) with S=3/2 on the B¿ reveal an incommensurate magnetic...

To determine the temperature evolution of the structures of two Bi-based perovskites with commensurate structures through their magnetic transition temperatures to contrast...

We propose to use Polaris to record powder neutron diffraction data for the oxygen deficient double perovskite Sr3SbO5.5 as a function of temperature to establish the...

Transition metal oxynitrides with perovskite type structures are an emerging class of materials with optical, photocatalytic, dielectric and magnetoresistive properties that may...

Disorder of magnetic cations usually suppresses long-range spin order: the Curie or Néel temperature drops rapidly, and a spin glass state often results at high disorder levels....

Through low temperature fluorination of AFeO3-x (A=Sr, Ba) it is possible to prepare the oxide fluorides AFeO2F, which are antiferromagnetically ordered at room temperature. In...

Pb2FeMO6 phases are of interest as potential multiferroics. We have prepared a new non-centrosymmetric pyrochlore-derived structure containing anion vacancy ordering...

The metal-organic framework perovskite analogue guanadinium copper(II) formate has achieved considerable recent attention for its multiferroic properties and consequent...

The recently reported double perovskite analogue imidazolium potassium iron(III) cyanide is noteworthy for two reasons. First, the order-disorder phase transitions, in which the...