Our economy consistently pushes for the development of increasingly complex materials to
meet the demands of high-efficiency energy conversion and high-performance engineering …

Silicon is ubiquitous in contemporary technology. The most stable form of silicon at ambient
conditions takes on the structure of diamond (cF8, d-Si) and is an indirect bandgap …

Diamond cubic silicon is widely used for electronic applications, integrated circuits, and
photovoltaics, due to its high abundance, nontoxicity, and outstanding physicochemical …

The energy landscape of carbon is exceedingly complex, hosting diverse and important
metastable phases, including diamond, fullerenes, nanotubes, and graphene. Searching for …

Group 14 elements (C, Si, and Ge) exist as various stable and metastable allotropes, some
of which have been widely applied in industry. The discovery of new allotropes of these …

Ordinary materials can transform into novel phases at extraordinary high pressure and
temperature. The recently developed method of ultrashort laser-induced confined …

We present state-of-the-art first-principles calculations of the electronic and optical
properties of silicon allotropes with interesting characteristics for applications in thin-film …

Searches for low-energy tetrahedral polymorphs of carbon and silicon have been performed
using density functional theory computations and the ab initio random structure searching …

Silicon exhibits a large variety of different bulk phases, allotropes, and composite structures,
such as, eg, clathrates or nanostructures, at both higher and lower densities compared with …

Silicon materials play a key role in many technologically relevant fields, ranging from the
electronic to the photovoltaic industry. A systematic search for silicon allotropes was …