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

Modern first-principles calculations based on density functional theory and related
techniques enable the predictive modeling of the linear and nonlinear optical properties of …

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

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 …

Elevating visible light absorption and carrier transport capacity of diamond silicon is a
terrifying challenge for improving photoelectric conversion efficiency. Here, six new crystals …

We present ab initio calculations of the electronic structure and the optical properties of
wurtzite Si (Si-IV). We find an indirect band gap of 0.95 eV (Γ 5→ M 1) and an optically …

Large-volume, phase-pure synthesis of BC8 silicon (I a 3¯, c I 16) has enabled bulk
measurements of optical, electronic, and thermal properties. Unlike previous reports that …

The transfer of heat from a plasmonic nanoparticle to its water environment has numerous
applications in the fields of solar energy conversion and photothermal therapies. Here, we …

Generating multiple excitons by a single high-energy photon is a promising third-generation
solar energy conversion strategy. We demonstrate that multiple exciton generation (MEG) in …

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