Open shell transition metal oxides are usually described as Mott or charge transfer
insulators, which are often viewed as being disparate from semiconductors. Based on the …

Recent first-principles approaches to semiconductors are reviewed, with an emphasis on
theoretical insight into emerging materials and in silico exploration of as-yet-unreported …

The space of metastable materials offers promising new design opportunities for next-
generation technological materials, such as complex oxides, semiconductors …

Energy bands in antiferromagnets are supposed to be spin degenerate in the absence of
spin–orbit coupling (SOC). Recent studies have identified formal symmetry conditions for …

X-ray absorption spectroscopy (XAS) produces a wealth of information about the local
structure of materials, but interpretation of spectra often relies on easily accessible trends …

Nitride semiconductors are a promising class of materials for solar energy conversion
applications, such as photovoltaic and photoelectrochemical cells. Nitrides can have better …

Coordination or local environments (eg, tetrahedra and octahedra) are powerful descriptors
of the crystalline structure of materials. These structural descriptors are essential to the …

Abstract Internet-of-thing (IoT) is an assembly of devices that collect and share data with
other devices and communicate via the internet. This massive network of devices, generates …

High-throughput experimentation provides efficient map** of composition–property
relationships, and its implementation for the discovery of optical materials enables …

Recently, there has been an explosive growth in research based on hybrid lead–halide
perovskites for photovoltaics owing to rapid improvements in efficiency. The advent of these …