Attracting shallow donors: Hydrogen passivation in (Al,Ga,In)-doped ZnO

Details Attracting shallow donors: Hydrogen passivation in (Al,Ga,In)-doped ZnO Attracting shallow donors: Hydrogen passivation in (Al,Ga,In)-doped ZnO

2012-04-02

arxiv.org/abs/1204.0364v1

Physics

Condensed Matter

Materials Science

4 pages, 5 figures

Scientific paper

The hydrogen interstitial and the substitutional Al_Zn, Ga_Zn and In_Zn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen.

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