journal article·2016-07-06

Si(C≡C)4-Based Single-Crystalline Semiconductor: Diamond-like Superlight and Superflexible Wide-Bandgap Material for the UV Photoconductive Device

Ming-Jun Sun, Xinrui Cao, Zexing Cao

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Abstract

A wide-bandgap SiC4 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.
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Research context

OpenAlex topics: Semiconductor materials and devices · Ga2O3 and related materials · Graphene research and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

State Key Laboratory of Physical Chemistry of Solid Surfaces and Department of Chemistry, College of Chemistry and Chemical Engineering, and ‡Institute of Theoretical Physics, Department of Physics, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen 361005, China

Funding

Ministry of Education of the People's Republic of China · Ministry of Science and Technology of the People's Republic of China · National Natural Science Foundation of China

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