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Title: Electronic structures of wurtzite ZnO and ZnO/MgZnO quantum well
Authors: Fan, W.J.
Abiyasa, A.P.
Tan, S.T.
Yu, S.F.
Sun, X.W.
Xia, J.B.
Yeo, Y.C. 
Li, M.F. 
Chong, T.C. 
Keywords: A1. Computer simulation
A1. Low dimensional structures
B1. Zinc compounds
B2. Semiconducting II-VI materials
Issue Date: 18-Jan-2006
Citation: Fan, W.J., Abiyasa, A.P., Tan, S.T., Yu, S.F., Sun, X.W., Xia, J.B., Yeo, Y.C., Li, M.F., Chong, T.C. (2006-01-18). Electronic structures of wurtzite ZnO and ZnO/MgZnO quantum well. Journal of Crystal Growth 287 (1) : 28-33. ScholarBank@NUS Repository.
Abstract: The band structures of wurtzite ZnO are calculated using the empirical pseudopotential method (EPM). The 8 parameters of the Zn and O atom pesudopotential form factors with Schluter's formula are obtained. The effective mass parameters are extracted by using k.p Hamiltonian to fit the EPM results. The calculated band edge energies (Eg, EA, EB, and EC) at Γ point are in good agreement with experimental results. The ordering of ZnO at the top of valence band is found to be A(Γ7)-B(Γ9)-C(Γ7) due to a negative spin-orbit (SO) splitting. Based on the band parameters obtained, the valence hole subbands of wurzite ZnO/MgxZn1-xO tensile-strained quantum wells (QWs) with different well widths and Mg compositions are calculated using 6-band k.p method. © 2005 Elsevier B.V. All rights reserved.
Source Title: Journal of Crystal Growth
ISSN: 00220248
DOI: 10.1016/j.jcrysgro.2005.10.037
Appears in Collections:Staff Publications

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