کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
8205403 1530585 2014 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Strain engineering for ZnO nanowires: First-principle calculations
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
Strain engineering for ZnO nanowires: First-principle calculations
چکیده انگلیسی
We employ density-functional theory to investigate the strain engineering for infinitely long [0001] ZnO nanowires with rectangular cross sections. The structural and electronic properties of ZnO nanowires with uniaxial, lateral and shear strain are systemically calculated. The results show that the band-gaps of ZnONWs will decrease (increase) with increasing (decreasing) tensile (compressive) uniaxial strain. The tensile (compressive) lateral strain on {10 1̅0} surfaces will improve (reduce) the band-gaps for ZnONW with clearly nonlinear characteristic, while the change trend of band-gaps for ZnONW with lateral strain on {1 2̅10} surfaces is basically opposite. When we enhance shear strain on ZnONWs, the band-gaps are reduced. The increasing shear strain along [10 1̅0] direction will sharply reduce the band-gap and the curve is nonlinear, while the band-gap decreases nearly linearly with the increase of shear strain along [1 2̅10] direction.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 378, Issues 16–17, 14 March 2014, Pages 1174-1179
نویسندگان
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