Aluminum oxide, including crystalline Al2O3 and amorphous AlOx, is usually regarded as an insulator. If its conductivity is controlled by donor and acceptor doping, it can be used for various electronics applications as a wide-gap semiconductor or a transparent conductive oxide. In search for shallow donors and acceptors, the energy levels introduced by various impurities are calculated for corundum Al2O3 by the first-principles calculation based on the density-functional theory. Density of states is calculated for a supercell consisting of 120 atoms including one impurity atoms. According to the results, group VII elements (F, Cl, Br, I) can act as a shallow donor, and group II elements (Mg, Zn, Ca) can act as a shallow acceptor. Thus, there is a possibility that both n- and p-type aluminum oxides are fabricated by proper doping and applied for electronics.
Aluminum oxide semiconductor doping valence control first-principles calculation
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