Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning.

We report the aperiodic titanate Ba Y Ti O with a room-temperature thermal conductivity that equals the lowest reported for an oxide. The structure is characterised by discontinuous occupancy modulation of each of the sites and can be considered as a quasicrystal. The resulting localisation of lattice vibrations suppresses phonon transport of heat.

Identification of (Tb,Eu)(SiO)O Oxy-Apatite Structures as Nanometric Inclusions in Annealed (Eu,Tb)-Doped ZnO/Si Junctions: Combined Electron Diffraction and Chemical Contrast Imaging Studies.

(Tb,Eu)-doped ZnO-annealed films at 1100 °C showed intense photoluminescense (PL) emission from Eu and Tb ions. The high-temperature annealing led to a chemical segregation and a secondary Zn-free phase formation that is suspected to be responsible for the high PL intensity. Large faceted inclusions of rare-earth (RE) silicates of a size of few hundred nanometers were observed.

Exotic Compositional Ordering in Manganese-Nickel-Arsenic (Mn-Ni-As) Intermetallics.

In this work we benefited from recent advances in tools for crystal-structure analysis that enabled us to describe an exotic nanoscale phenomenon in structural chemistry. The Mn Ni As sample of the Mn Ni As solid solution, exhibits an incommensurate compositional modulation intimately coupled with positional modulations. The average structure is of the simple NiAs type, but in contrast to a normal solid solution, we observe that manganese and nickel segregate periodically at the nano-level into ordered MnAs and NiAs layers with thickness of 2-4 face-shared octahedra.

Tetrahedral chain ordering and low dimensional magnetic lattice in a new brownmillerite SrScFeO.

We report the synthesis, structure and physical properties of a hitherto unreported brownmillerite compound Sr2ScFeO5. We have shown a new ordering sequence of the interlayer iron tetrahedral chains. Reduced dimensionality of the magnetic lattice and the frustration in the two dimensional iron tetrahedral chains originate complex magnetic and magneto-dielectric effects.

Low Dimensional Magnetic Lattice and Room Temperature Magneto(di)electric Effect in Polyanion Ruddlesden-Popper Iron Oxides.

We have shown a new design strategy which exploits different oxyanions in a Ruddlesden-Popper (RP)-type phase to modulate the local crystal structure and magnetic lattice. Material (SrFe(SO)O) with the larger voluminous oxyanion (SO, S-O distance = 1.49 Å) as separating blocks between magnetic FeO layers shows a two-dimensional magnetic lattice.