We introduce columnar shifts-collective rigid-body translations-as a structural degree of freedom relevant to the phase behaviour of molecular perovskites ABX3 (X = molecular anion). Like the well-known octahedral tilts of conventional perovskites, shifts also preserve the octahedral coordination geometry of the B-site cation in molecular perovskites, and so are predisposed to influencing the l...

–Expressions are obtained for the thermal conductivity of some ABO3 type displacive ferroelectrics in paraelectric phase, using Kubo formalism and double time thermal Green’s function technique. The total thermal conductivity obtained for these perovskites which is sum of two terms contributed by optical and acoustical phonons, is in agreement with the experimental results of Steigmeier. The va...

The radiation-sensitive nature of halide perovskites has hindered structural studies at the atomic scale. We overcome this obstacle by applying low dose-rate in-line holography, which combines aberration-corrected high-resolution transmission electron microscopy with exit-wave reconstruction. This technique successfully yields the genuine atomic structure of ultrathin two-dimensional CsPbBr3 ha...

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...

A variety of PbI2/MAPbI3 perovskites were prepared and investigated by a rapid screening technique utilizing a modified scanning electrochemical microscope (SECM) in order to determine how excess PbI2 affects its photoelectrochemical (PEC) properties. An optimum ratio of 2.5% PbI2/MAPbI3 was found to enhance photocurrent over pristine MAPbI3 on a spot array electrode under irradiation. With bul...

A Ruddlesden-Popper (RP) type structure is well-known in oxide perovskites and is related to many interesting properties such as superconductivity and ferroelectricity. However, the RP phase has not yet been discovered in inorganic halide perovskites. Here, we report the direct observation of unusual structure in two-dimensional CsPbBr3 nanosheets which could be interpreted as the RP phase base...

Here, we report the presence of defect-related states with magnetic degrees of freedom in crystals of LaAlO3 and several other rare-earth based perovskite oxides using inelastic light scattering (Raman spectroscopy) at low temperatures in applied magnetic fields of up to 9 T. Some of these states are at about 140 meV above the valence band maximum while others are mid-gap states at about 2.3 eV...

The performance of solar cells based on hybrid halide perovskites has seen an unparalleled rate of progress, while our understanding of the underlying physical chemistry of these materials trails behind. Superficially, CH3NH3PbI3 is similar to other thin-film photovoltaic materials: a semiconductor with an optical band gap in the optimal region of the electromagnetic spectrum. Microscopically, ...

We developed lead halide perovskite quantum dot (QD) films with tuned surface chemistry based on A-site cation halide salt (AX) treatments. QD perovskites offer colloidal synthesis and processing using industrially friendly solvents, which decouples grain growth from film deposition, and at present produce larger open-circuit voltages (VOC's) than thin-film perovskites. CsPbI3 QDs, with a tunab...

Applications of computer-based group-theoretical methods to perovskite crystallography are reviewed. Such methods furnish a systematic account of the effects on the high-symmetry parent structure of diverse distortions. New results are presented for elpasolites (ordered double perovskites) when both ferroelectric cation displacement and simple octahedral tilting are allowed. Group-theoretical r...