Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/12906
Title: First-Principles Study on Mg DOPING OF ZnO
Authors: HONG ZHENXI
Keywords: Investigating Intensified Green Emission in ZnO
Issue Date: 7-Nov-2008
Source: HONG ZHENXI (2008-11-07). First-Principles Study on Mg DOPING OF ZnO. ScholarBank@NUS Repository.
Abstract: Interest in zinc oxide (ZnO) is largely driven by its potential candidature in optical and optoelectronic devices. Recently, green luminescence in ZnO has been found to intensify in the presence of magnesium (Mg) defects. Here, ab initio calculations are carried out on ZnO to investigate the mechanism for this increased green light emission. Knowing from other research works that oxygen vacancy is likely to contribute to green light emission in ZnO, a neutral oxygen vacancy and substitutional Mg defect complex is studied. Our results suggest the enhanced green field-emission observed in Mg-doped ZnO samples may be due to easier formation of the defect complex. Electronic and optical properties of ZnO in the presence of various point Mg defects are also examined. Neutral zinc vacancies are found to have a complementary relationship with neutral oxygen vacancies, causing intensified green light emission due to an extra defect level in original band gap.
URI: http://scholarbank.nus.edu.sg/handle/10635/12906
Appears in Collections:Master's Theses (Open)

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i Abstract.pdf7.04 kBAdobe PDF

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ii Acknowledgement.pdf6.05 kBAdobe PDF

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iii Contents.pdf70.54 kBAdobe PDF

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iv List of Tables.pdf7.57 kBAdobe PDF

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v List of figures.pdf73.59 kBAdobe PDF

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vi List of symbols.pdf18.06 kBAdobe PDF

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1 Introduction.pdf157.24 kBAdobe PDF

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2 Methodology.pdf165 kBAdobe PDF

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3 Results and Discussion I.pdf893.51 kBAdobe PDF

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4 Results and Discussion II.pdf447.65 kBAdobe PDF

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5 Results and Discussion III.pdf276.44 kBAdobe PDF

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6 Results and Discussion IV.pdf471.57 kBAdobe PDF

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7 Results and Discussion V.pdf593.21 kBAdobe PDF

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8 Conclusion.pdf60.92 kBAdobe PDF

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References.pdf46.11 kBAdobe PDF

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