Abstract
First-principles calculations are presented for Si, Ge, Sn doping of LiGaO2. Both Si and Ge are found to be shallow donors. Sn is found to be a somewhat deeper donor. The site preference is studied and all three group-IV dopants are found to favor the Ga over the Li site when the Fermi level is in the upper part of the gap, corresponding to n-type doping and for Li-rich growth conditions. The prospects for n-type doping are thus favorable. N is found to be amphoteric with both deep donor and acceptor type transition levels. Zn has a significant site competition between Zn (donor) and Zn (acceptor) levels, which would pin the Fermi level in the middle of the gap. Thus, p-type doping cannot be achieved with these dopants.
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