%0 Journal Article %A A. M. Gsiea and J. P. Goss and P. R. Briddon and K. M. Etmimi %D 2013 %J International Journal of Physical and Mathematical Sciences %B World Academy of Science, Engineering and Technology %I Open Science Index 75, 2013 %T Oxygen-Interstitials and Group-V Element Doping for p-Type ZnO %U https://publications.waset.org/pdf/10922 %V 75 %X In realizing devices using ZnO, a key challenge is the production of p-type material. Substitution of oxygen by a group-V impurity is thought to result in deep acceptor levels, but a candidate made up from a complex of a group-V impurity (P, As, Sb) on a Zn site coupled with two vacant Zn sites is widely viewed as a candidate. We show using density-functional simulations that in contrast to such a view, complexes involving oxygen interstitials are energetically more favorable, resulting in group-V impurities coordinated with four, five or six oxygen atoms. %P 370 - 378