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Oxygen vacancies and hydrogen in amorphous In-Ga-Zn-O and ZnO

Accepted version
Peer-reviewed

Type

Article

Change log

Authors

Li, H 
Guo, Y 
Robertson, J 

Abstract

Hydrogen is known to be present as an impurity in amorphous oxide semiconductors at the 0.1% level. The behavior of hydrogen and oxygen vacancies in amorphous In-Ga-Zn-O is studied using density functional supercell calculations. We show that the hydrogens pair up at oxygen vacancies in the amorphous network, where they form metal-H-metal bridge bonds. These bonds are shown to create filled defect gap states lying just above the valence band edge, infrared modes at about 1400 and 1520cm−1, and they are shown to give a consistent mechanism to explain the negative bias illumination stress instability found in oxide semiconductors such as In-Ga-Zn-O (IGZO).

Description

Keywords

3402 Inorganic Chemistry, 40 Engineering, 34 Chemical Sciences, 4018 Nanotechnology

Journal Title

Physical Review Materials

Conference Name

Journal ISSN

2475-9953
2475-9953

Volume Title

2

Publisher

American Physical Society (APS)
Sponsorship
Engineering and Physical Sciences Research Council (EP/P005152/1)
The authors acknowledge funding from EPSRC Grants No. EP/P005152/1.