First-principles calculations of Au-supersaturated silicon formed by pulsed-laser irradiation

The distribution of the substitutional Au atoms have a considerable impact on electronic structures and optical properties of the Au-supersaturated silicon. At a larger atomic distance (nearly-homogeneous distribution) and an appropriate concentration of Au, an isolated partially filled intermediate...

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Bibliographic Details
Published in:Japanese Journal of Applied Physics 2019-02, Vol.58 (2), p.20904
Main Authors: Dong, Xiao, Fang, Xiuxiu, Wang, Yongyong, Song, Xiaohui
Format: Article
Language:English
Subjects:
Absorption
Energy gap
First principles
Optical properties
Pulsed lasers
Silicon
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Summary:The distribution of the substitutional Au atoms have a considerable impact on electronic structures and optical properties of the Au-supersaturated silicon. At a larger atomic distance (nearly-homogeneous distribution) and an appropriate concentration of Au, an isolated partially filled intermediate-band (IB) is formed in the bandgap and an especially strong sub-bandgap absorption is observed. The combination of Au atoms can break IB and reduce the sub-bandgap absorption of the material. The Au-supersaturated silicon becomes an potential IB material under appropriate preparing and thermal annealing conditions.
ISSN:0021-4922
1347-4065
DOI:10.7567/1347-4065/aaf56e