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

摘要：

　　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.

关键词： wide-bandgap SiC4 semiconductor photoconductive material low-density high thermal stability high flexibility

作者: Ming-Jun Sun Xinrui Cao Zexing Cao

作者单位: State Key Laboratory of Physical Chemistry of Solid Surfaces and Department of Chemistry College of Institute of Theoretical Physics,Department of Physics,Fujian Provincial Key Laboratory of Theoretic

会议类型: 国内会议

会议名称: 第八届国际分子模拟与信息技术应用学术会议

会议地点: 大连

会议语种:英文

页码: 96-99

在线出版日期: 2016-09-24（万方平台首次上网日期，不代表论文的发表时间）