Effects of strain on electronic and optic properties of holey two-dimensional C2N crystals

• DOI: 10.1063/1.4937269
• Publication Date: 2015-12-09T14:31:01Z
• Authors: Shan Guan; Yingchun Cheng; Chang Liu; Junfeng Han; Yunhao Lu; Shengyuan A. Yang; Yugui Yao
• Keywords: Strain (injury)

A new two-dimensional material, the C$_2$N holey 2D (C$_2$N-$h$2D) crystal, has recently been synthesized. Here we investigate strain effects on properties of this material by first-principles calculations. We show that is quite soft with a small stiffness constant and can sustain large strains $\geq 12\%$. It remains direct gap semiconductor under bandgap size be tuned in wide range as 1 eV. Interestingly, for biaxial strain, band crossing effect occurs at valence maximum close to 8\% leading dramatic increase hole effective mass. Strong optical absorption achieved tuning coefficient $\sim10^6$ cm$^{-1}$ covering spectrum. Our findings suggest great potential strain-engineered C$_2$N-$h$2D electronic optoelectronic device applications.