Abstract
In realizing devices using ZnO, a key challenge is theproduction of p-type material. Substitution of oxygen by a group-Vimpurity is thought to result in deep acceptor levels, but a candidatemade up from a complex of a group-V impurity (P, As, Sb) on a Znsite coupled with two vacant Zn sites is widely viewed as a candidate.We show using density-functional simulations that in contrast to sucha view, complexes involving oxygen interstitials are energeticallymore favorable, resulting in group-V impurities coordinated with four,five or six oxygen atoms (PDF) Oxygen-Interstitials and Group-V Element Doping for p-Type ZnO. Available from: https://www.researchgate.net/publication/335327572_Oxygen-Interstitials_and_Group-V_Element_Doping_for_p-Type_ZnO [accessed Mar 10 2023].