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Surface Charge of Clean LiNbO3 Z-Cut Surfaces
- Source :
- High Performance Computing in Science and Engineering ‘14 ISBN: 9783319108094
- Publication Year :
- 2014
- Publisher :
- Springer International Publishing, 2014.
-
Abstract
- The geometry of the polar LiNbO3 (0001) surface is strongly temperature dependent. In this work the surface charge associated to various surface terminations is estimated from first-principles calculations. All stable terminations are found to lower the polarization charge, showing that the surface charge compensation is a major driving force for surface reconstruction.
Details
- ISBN :
- 978-3-319-10809-4
- ISBNs :
- 9783319108094
- Database :
- OpenAIRE
- Journal :
- High Performance Computing in Science and Engineering ‘14 ISBN: 9783319108094
- Accession number :
- edsair.doi...........88c939083deb6e27b893adce0c415e5a
- Full Text :
- https://doi.org/10.1007/978-3-319-10810-0_12