Oxygen-Interstitials And Group-V Element Doping For P-Type Zno

Autor: A. M. Gsiea, J. P. Goss, P. R. Briddon, K. M. Etmimi
Jazyk: angličtina
Rok vydání: 2013
Předmět:
DOI: 10.5281/zenodo.1076229
Popis: 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.
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