TY - JOUR
KW - paper
AU - D. Hapiuk
AU - M Marques
AU - P. Melinon
AU - J. Flores-Livas
AU - Silvana Botti
AU - B. Masenelli
AB - 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.
BT - Phys. Rev. Lett.
DO - 10.1103/PhysRevLett.108.115903
N2 - 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.
PY - 2012
T2 - Phys. Rev. Lett.
TI - p-doping in expanded phase of ZnO: An ab initio study
UR - http://link.aps.org/doi/10.1103/PhysRevLett.108.115903
VL - 108, 115903
ER -