Electronic structures of silicon doped ZnO

R. Chowdhury; P. Rees; S. Adhikari; F. Scarpa; S. P. Wilks

doi:10.1016/j.physb.2010.01.084

Electronic structures of silicon doped ZnO

R. Chowdhury, P. Rees, S. Adhikari, F. Scarpa, S. P. Wilks

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

We have calculated the electronic structure of ZnO systems doped with Silicon (Si) using generalized gradient approximation. We found that a donor level is formed while Zn is substituted by Si. The variation in band gap is calculated as a function of Si concentration in Zn_1-xSi_xO (0 ≤ x ≤ 12.5) system and comparisons are made with recently published experimental results. Further, we observed that, substitution of Si at O site forms deep acceptor levels near the top of the valence band, and thereby a weak p-type transformation of the system can be realized.

Original language	English (US)
Pages (from-to)	1980-1985
Number of pages	6
Journal	Physica B: Condensed Matter
Volume	405
Issue number	8
DOIs	https://doi.org/10.1016/j.physb.2010.01.084
State	Published - Apr 15 2010

Keywords

Electronic structure
First-principles
Wurtzite ZnO

ASJC Scopus subject areas

Condensed Matter Physics
Electronic, Optical and Magnetic Materials
Electrical and Electronic Engineering

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10.1016/j.physb.2010.01.084

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AU - Chowdhury, R.

AU - Rees, P.

AU - Adhikari, S.

AU - Scarpa, F.

AU - Wilks, S. P.

PY - 2010/4/15

Y1 - 2010/4/15

N2 - We have calculated the electronic structure of ZnO systems doped with Silicon (Si) using generalized gradient approximation. We found that a donor level is formed while Zn is substituted by Si. The variation in band gap is calculated as a function of Si concentration in Zn1-xSixO (0 ≤ x ≤ 12.5) system and comparisons are made with recently published experimental results. Further, we observed that, substitution of Si at O site forms deep acceptor levels near the top of the valence band, and thereby a weak p-type transformation of the system can be realized.

AB - We have calculated the electronic structure of ZnO systems doped with Silicon (Si) using generalized gradient approximation. We found that a donor level is formed while Zn is substituted by Si. The variation in band gap is calculated as a function of Si concentration in Zn1-xSixO (0 ≤ x ≤ 12.5) system and comparisons are made with recently published experimental results. Further, we observed that, substitution of Si at O site forms deep acceptor levels near the top of the valence band, and thereby a weak p-type transformation of the system can be realized.

KW - Electronic structure

KW - First-principles

KW - Wurtzite ZnO

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Electronic structures of silicon doped ZnO

Abstract

Keywords

ASJC Scopus subject areas

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