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(Color online) On the left scale it is indicated the confinement energy of the CB NW states as a function of the NW size. The blue dashed line is the fit obtained with Eq. (21) in the text, whereas the red dots represents the confinement energy of the lowest CB NW. The solid line refers to the right scale and it represents the projection of the c1 wave function onto the CB edge bulk state. The charge density of the CB state c1(s) for S = 6.5 nm is shown as an inset.
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![FIG. 4: Top panels: Band structure of a bare and passivate [1 ¯ 100]...](profile/Alejandro-Molina-Sanchez/publication/256981726/figure/fig2/AS:614062723452929@1523415370377/Top-panels-Band-structure-of-a-bare-and-passivate-1-100-GaN-slab-calculated-with-DFT_Q320.jpg)
We present a semiempirical pseudopotential method based on screened atomic
pseudopotentials and derived from \textit{ab initio} calculations. This
approach is motivated by the demand for pseudopotentials able to address
nanostructures, where \textit{ab initio} methods are both too costly and
insufficiently accurate at the level of the local-density...
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Citations
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