Philip W. Avraam, Nicholas D. M. Hine, Paul Tangney, Peter D. Haynes
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.
View original:
http://arxiv.org/abs/1110.6656
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