Ferroelectric materials, because of their robust spontaneous electrical polarization, are
widely used in various applications. Recent advances in modelling, synthesis and …

This article provides the collective, critical view of the authors, who convened at a workshop
on hybrid organic–inorganic perovskites (HOIPs) in late February 2015, where challenges …

The notion that halide perovskite crystals (ABX 3 , where X is a halide) exhibit unique structural
and optoelectronic behavior deserves serious scrutiny. After decades of steady and half …

A plane-wave basis has great advantages for many calculations in the physics solids. To
apply this basis to a wider class of materials, the atomic characteristic of a pseudopotential is …

Knowledge of the charge distribution within molecules is es-sential for determining the
electrostatic energies (including hy-drogen bonding) in molecular mechanics and molecular …

Electroluminescence efficiencies of metal halide perovskite nanocrystals (PNCs) are limited
by a lack of material strategies that can both suppress the formation of defects and enhance …

We show that the pseudorelativistic physics of graphene near the Fermi level can be extended
to three dimensional (3D) materials. Unlike in phase transitions from inversion symmetric …

Ferroelectrics have recently attracted attention as a candidate class of materials for use in
photovoltaic devices, and for the coupling of light absorption with other functional properties 1 , …

Three-dimensionally periodic dielectric structures, photonic crystals, possessing a forbidden
gap for electromagnetic wave propagation, a photonic band gap, are now known. If the …

A representative set of high resolution x-ray crystal structures of nonhomologous proteins
have been examined to determine the preferred positions and orientations of noncovalent …