Journal
APPLIED PHYSICS LETTERS
Volume 97, Issue 3, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3464974
Keywords
ab initio calculations; dielectric function; energy gap; II-VI semiconductors; nanowires; red shift; semiconductor quantum wires; wide band gap semiconductors
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Funding
- National Natural Science Foundation of China [10874089]
- Natural Science Foundation of Jiangsu Province [BK2008398]
- Project Innovation of Graduate Students of Jiangsu Province, China [CX08B_006Z]
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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. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3464974]
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