Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO

By S. Lany, J. Guillén, Alex Zunger. 2007

195 citations recorded by the source corpus.

The doping response of the prototypical transparent oxides NiO (p-type), ZnO (n-type), and MgO (insulating) is caused by spontaneous formation of compensating centers, leading to Fermi-level pinning at critical Fermi energies. We study the doping principles in these oxides by first-principles calculations of carrier-producing or -compensating defects and of the natural band offsets, and identify the dopability trends with the ionization potentials and electron affinities of the oxides. We find that the room-temperature free-hole density of cation-deficient NiO is limited by a too large ionization energy of the Ni vacancy, but it can be strongly increased by extrinsic dopants with shallower acceptor levels.

Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/834c4be5c9b853dd5f0fb7450acd4a7a88dabacf

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Citations in the corpus

• Zinc Oxide Nanoparticles for Selective Destruction of Tumor Cells and Potential for Drug Delivery Applications (2010, background): “The doping of ZnO nanoparticles with transition metal ions has been demonstrated [85,92,93], and may be another approach to improve their therapeutic potential as transition metals can potentiate redox-cycling cascades.”