The strong effect
of impurity hydrogen (H) on subgap electronic
states in amorphous In–Ga–Zn–O thin-film transistors
(a-IGZO TFTs) was confirmed using standard (STD) and ultrahigh-vacuum
(UHV) sputtering systems with different base pressures of 10–4 and 10–7 Pa, respectively. However, comprehensive
studies of the atomic-scale structure have yet to be reported. We
investigated the correlations between the atomic-scale structure,
the electronic state, and the impurity hydrogen content in a-IGZO
by high-energy X-ray diffraction (HEXRD) coupled with reverse Monte
Carlo (RMC) modeling and X-ray absorption fine structure (XAFS) spectroscopy.
XAFS probed the distribution of unoccupied electronic states above
the Fermi level and the local coordination structure around the In,
Ga, and Zn atoms. A possible contribution for H from voids in the
a-IGZO films was observed by the HEXRD and RMC configuration models.
In contrast, the STD 3% film has many voids, which are occupied by
impurity H. The proportion of lower coordinated M-O (M = Zn, Ga,
In) structures is increased because of the H in voids. We revealed
that this electronic and atomic-scale structure of the a-IGZO TFTs,
which results in enhanced TFT characteristics, can be stabilized by
the hydrogen-passivated defects resulting from STD sputtering with
an optimum oxygen flow rate ratio of 3%.