Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2011-10-30
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
9 pages, 8 figures. Accepted for publication in Phys. Rev. B
Scientific paper
First-principles calculations of polar semiconductor nanorods reveal that their dipole moments are strongly influenced by Fermi level pinning. The Fermi level for an isolated nanorod is found to coincide with a significant density of electronic surface states at the end surfaces, which are either mid-gap states or band-edge states. These states pin the Fermi level, and therefore fix the potential difference across the rod. We provide evidence that this effect can have a determining influence on the polarity of nanorods, and has consequences for the way a rod responds to changes in its surface chemistry, the scaling of its dipole moment with its size, and the dependence of polarity on its composition.
Avraam Philip W.
Haynes Peter D.
Hine Nicholas D. M.
Tangney Paul
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