Si(CC)<sub>4</sub>‑Based Single-Crystalline Semiconductor: Diamond-like
Superlight and Superflexible Wide-Bandgap Material for the UV Photoconductive
Device
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Abstract
A wide-bandgap
SiC<sub>4</sub> semiconductor with low density and high elasticity
has been designed and characterized by ab initio molecular dynamics
simulations and first-principles calculations. The through-space conjugation
among the d orbitals of Si and the π* orbitals of ethynyl moieties
can remarkably enhance the photoconductivity. This new-type superlight
and superflexible semiconductor is predicted to have unique electronic,
optical, and mechanical properties, and it is a quite promising material
for the high-performance UV optoelectronic devices suitable for various
practical demands in a complex environment