Journal
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
Volume 19, Issue -, Pages 179-185Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.mssp.2013.12.022
Keywords
Ab initio; FP-LAPW; LCPAO; MBJ-(LDA,GGA); GaN/ZnO superlattice; Structural stability; Electronic structure; Effective mass
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Funding
- National Research Program (PNR) [43/08]
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The structural stability, elastic anti electronic properties of hypothetical zincblende (GaN)(1)/(ZnO)(1) superlattice structure have been investigated using two different theoretical techniques: the full potential-linearized augmented plane wave method and the linear combination of localized pseudo-atomic orbital. The new modified Becke-Johnson exchange potential is chosen to improve the bandgap and the effective masses of the studied superlattice. The bandgap is found to be slightly indirect and reduced than those of pure GaN and ZnO. The origin of this reduction is attributed to the p-d repulsion of the Zn-N interface and the presence of the O p electron. The electron effective mass is found to be isotropic. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.
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