New Layered Oxide-Fluoride Perovskites: KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+)

Topochemical Manipulation of Layered Perovskites

Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments.

ABO(3) perovskites have fascinated solid-state chemists and physicists for decades because they display a seemingly inexhaustible variety of chemical and physical properties. However, despite the diversity of properties found among perovskites, very few of these materials are ferroelectric, or even polar, in bulk. In this Perspective, we highlight recent theoretical and experimental studies tha...

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High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites

Using finite-temperature phonon calculations and machine-learning methods, we assess the mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovskite structures at 0, 300, and 1000 K. We find 92 mechanically stable compounds at high temperatures—including 36 not mentioned in the literature so far—for which we calculate the thermal conductivity. We show that the th...

New Magnetic Materials Obtained by Ion-exchange Reactions from Non-magnetic Layered Perovskites

New layered magnetic materials, (MCl)Ca2Ta3O10 (M = Cu, Fe), have been prepared by ion-exchange reactions of non-magnetic perovskite derivatives, ACa2Ta3O10 (A = Rb, Li), in corresponding anhydrous molten salts. Powder x-ray diffraction patterns of the products are successfully indexed assuming tetragonal symmetry with cell dimensions a = 3.829 Å and c = 15.533 Å for Cu, and a = 3.822 Å and c =...