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Applied Physics Letters / Volume 96 / Issue 9 / STRUCTURAL, MECHANICAL, THERMODYNAMIC, AND OPTICAL PROPERTIES OF CONDENSED MATTER

Appl. Phys. Lett. 96, 091914 (2010); http://dx.doi.org/10.1063/1.3340934 (3 pages)

Roles of carbon in light emission of ZnO

Y. H. Lu1, Z. X. Hong1, Y. P. Feng1, and S. P. Russo2

1Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542
2Applied Physics, School of Applied Sciences, RMIT University, Melbourne 3001, Australia

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(Received 3 January 2010; accepted 8 February 2010; published online 4 March 2010)

The origin of green light emission of ZnO has been a controversial topic. First-principles electronic structure calculations so far failed to provide useful evidence due to severe underestimation of band gap and ambiguous defect energy levels. In this work, we carried out first-principles electronic structure calculations on defected ZnO with a hybrid density functional. It was found that carbon, which cannot be completely avoided in fabricating processes, plays an important role in the commonly observed green emission, and could be the origin of green emission of ZnO. We also propose a method for the selection of emission by controlling defect types and ratio in ZnO.

© 2010 American Institute of Physics

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KEYWORDS and PACS

Keywords

carbon, density functional theory, energy states, II-VI semiconductors, wide band gap semiconductors, zinc compounds

PACS

  • 71.15.Mb

    Density functional theory, local density approximation, gradient and other corrections

  • 81.05.Dz

    II-VI semiconductors

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3340934

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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