Electronic structure and optical property of p-type Zn-doped SnO sub(2) with Sn vacancy

The electronic structures and optical properties of intrinsic SnO sub(2), Zn-doped SnO sub(2), SnO sub(2) with Sn vacancy (V sub(Sn)) and Zn-doped SnO sub(2) with Sn vacancy are explored by using first-principles calculations. Zn-doped SnO sub(2) is a p-type semiconductor material, whose Fermi level...

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Bibliographic Details
Published in:Journal of semiconductors 2016-02, Vol.37 (2), p.23005-23010
Main Authors: Guipeng, Sun, Jinliang, Yan, Peijiang, Niu, Delan, Meng
Format: Article
Language:English
Subjects:
Electronic structure
Semiconductors
Tin
Tin dioxide
Tin oxides
Vacancies
Valence band
Zinc
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Summary:The electronic structures and optical properties of intrinsic SnO sub(2), Zn-doped SnO sub(2), SnO sub(2) with Sn vacancy (V sub(Sn)) and Zn-doped SnO sub(2) with Sn vacancy are explored by using first-principles calculations. Zn-doped SnO sub(2) is a p-type semiconductor material, whose Fermi level shifts into the valence band when Zn atoms substitute Sn atoms, and the unoccupied states on the top of the valence band come from Zn 3d and O 2p states. Sn vacancies increase the relative hole number of Zn-doped SnO sub(2), which results in a possible increase in the conductivity of Zn-doped SnO sub(2). The Zn-doped SnO sub(2) shows distinct visible light absorption, the increased absorption can be seen apparently with the presence of Sn vacancies in the crystal, and the blue-shift of optical spectra can be observed.
ISSN:1674-4926
DOI:10.1088/1674-4926/37/2/023005