p-doping in expanded phase of ZnO: An ab initio study
Title | p-doping in expanded phase of ZnO: An ab initio study |
Publication Type | Palaiseau Article |
Acknowledgements | none |
Refereed Designation | Refereed |
DOI | 10.1103/PhysRevLett.108.115903 |
Hapiuk, D, Marques, M, Melinon, P, Flores-Livas, JA, Botti, S, Masenelli, B | |
Year of Publication | 2012 |
Journal | Phys. Rev. Lett. |
Volume | 108, 115903 |
URL | http://link.aps.org/doi/10.1103/PhysRevLett.108.115903 |
Keywords | paper |
Abstract | The issue of p doping in nanostructured cagelike ZnO is investigated by state-of-the-art calculations. Our study is focused on one prototypical structure, namely, sodalite, for which we show that p-type doping is possible for elements of the V, VI, and VII columns of the periodic table. However, some dopants tend to form dimers, thus impairing the stability of this kind of doping. This difference of behavior is discussed, and two criteria are proposed to ensure stable p doping. |
Full Text |
Biblio Keywords: