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- Title
Spontaneous Polarization Calculations in Wurtzite II-Oxides, III-Nitrides, and SiC Polytypes through Net Dipole Moments and the Effects of Nanoscale Layering.
- Authors
Troy, William; Dutta, Mitra; Stroscio, Michael
- Abstract
Herein, the spontaneous polarization in crystals with hexagonal symmetry are calculated as a function of the number of monolayers composing a nanostructure by adding the dipole moments for consecutive units of the nanostructure. It is shown that in the limit of a large numbers of monolayers that the spontaneous polarization saturates to the expected bulk value of the spontaneous polarization. These results are relevant to understanding the role of the built-in spontaneous polarizations in a variety of nanostructures since these built-in polarizations are generally quite large, on the order of 1 × 108 to 1 × 1010 V/m. Using these formulations, we come to the prediction that small nanolayered structures are theoretically capable of having larger spontaneous polarizations than their bulk counterparts due to how the dipole moments of the anions and cations within a wurtzite lattice cancel out with one another more in larger structures.
- Subjects
DIPOLE moments; WURTZITE; CRYSTAL symmetry; MONOMOLECULAR films; ELECTRIC fields
- Publication
Nanomaterials (2079-4991), 2021, Vol 11, Issue 8, p1956
- ISSN
2079-4991
- Publication type
Article
- DOI
10.3390/nano11081956