Size-dependent strain effects on electronic and optical properties of ZnO nanowires

作者：Yang Yurong; Yan X H; Xiao Yang; Lu Di

来源：Applied Physics Letters, 2010, 97(3): 033106.

DOI：10.1063/1.3464974

• ab initio calculations
• dielectric function
• energy gap
• II-VI semiconductors
• nanowires
• red shift
• semiconductor quantum wires
• wide band gap semiconductors

The electronic and optical properties of ZnO nanowires under uniaxial strain are investigated using first-principles calculations. The results show that the electronic band gap for the ultrathin ZnO nanowires displays a nonmonotonic relationship with the strain, while the gap is inversely proportional to strain and shows a linear relationship for the nanowires with diameter larger than 2.4 nm. Optical properties calculations show that the dielectric function peaks for ultrathin nanowires display a redshift with decreasing uniaxial strain, this energy shift decreases with increasing diameter and vanishes as the diameter increases to 2.4 nm.

• 出版日期2010-7-19
• 单位南京航空航天大学