Article ID Journal Published Year Pages File Type
1547019 Physica E: Low-dimensional Systems and Nanostructures 2010 4 Pages PDF
Abstract
The relative stability between the wurtzite and zinc blende structures in GaAs nanowires with {111}/{11¯00} facets and those of {11¯0} / {112¯0} facets is systematically investigated using our empirical interatomic potential calculations and first-principles calculations. Our calculations clarify that the wurtzite structure is stabilized over entire diameters range for nanowires with {111}/{11¯00} facets. In contrast, for nanowires consisting of {11¯0}/{112¯0} facets, the zinc blende structure is favorable for diameters larger than 29 nm. This is because the surface energy difference between {11¯0} and {112¯0} surfaces is quite small compared to that between {1 1 1} and {11¯00} surfaces. The calculated results imply that the stability of nanowire side facets is a quite important factor determining the crystal structure.
Related Topics
Physical Sciences and Engineering Materials Science Electronic, Optical and Magnetic Materials
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