Electronic structures of wurtzite ZnO and ZnO/MgZnO quantum well

W. J. Fan; A. P. Abiyasa; S. T. Tan; Siu Fung Yu; X. W. Sun; J. B. Xia; Y. C. Yeo; M. F. Li; T. C. Chong

doi:10.1016/j.jcrysgro.2005.10.037

Electronic structures of wurtzite ZnO and ZnO/MgZnO quantum well

W. J. Fan, A. P. Abiyasa, S. T. Tan, Siu Fung Yu, X. W. Sun, J. B. Xia, Y. C. Yeo, M. F. Li, T. C. Chong

Research output: Journal article publication › Journal article › Academic research › peer-review

30 Citations (Scopus)

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.

Original language	English
Pages (from-to)	28-33
Number of pages	6
Journal	Journal of Crystal Growth
Volume	287
Issue number	1
DOIs	https://doi.org/10.1016/j.jcrysgro.2005.10.037
Publication status	Published - 18 Jan 2006
Externally published	Yes

Keywords

A1. Computer simulation
A1. Low dimensional structures
B1. Zinc compounds
B2. Semiconducting II-VI materials

ASJC Scopus subject areas

Condensed Matter Physics
Inorganic Chemistry
Materials Chemistry

More information

10.1016/j.jcrysgro.2005.10.037

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title = "Electronic structures of wurtzite ZnO and ZnO/MgZnO quantum well",

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.",

keywords = "A1. Computer simulation, A1. Low dimensional structures, B1. Zinc compounds, B2. Semiconducting II-VI materials",

author = "Fan, {W. J.} and Abiyasa, {A. P.} and Tan, {S. T.} and Yu, {Siu Fung} and Sun, {X. W.} and Xia, {J. B.} and Yeo, {Y. C.} and Li, {M. F.} and Chong, {T. C.}",

year = "2006",

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doi = "10.1016/j.jcrysgro.2005.10.037",

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T1 - Electronic structures of wurtzite ZnO and ZnO/MgZnO quantum well

AU - Fan, W. J.

AU - Abiyasa, A. P.

AU - Tan, S. T.

AU - Yu, Siu Fung

AU - Sun, X. W.

AU - Xia, J. B.

AU - Yeo, Y. C.

AU - Li, M. F.

AU - Chong, T. C.

PY - 2006/1/18

Y1 - 2006/1/18

N2 - 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.

AB - 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.

KW - A1. Computer simulation

KW - A1. Low dimensional structures

KW - B1. Zinc compounds

KW - B2. Semiconducting II-VI materials

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DO - 10.1016/j.jcrysgro.2005.10.037

M3 - Journal article

SN - 0022-0248

VL - 287

SP - 28

EP - 33

JO - Journal of Crystal Growth

JF - Journal of Crystal Growth

IS - 1

ER -

Electronic structures of wurtzite ZnO and ZnO/MgZnO quantum well

Abstract

Keywords

ASJC Scopus subject areas

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