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.
Cite
CITATION STYLE
Sanna, S., Gerstmann, U., Rauls, E., Li, Y., Landmann, M., Riefer, A., … Schmidt, W. G. (2015). Surface charge of clean LiNbO3 Z-cut surfaces. In High Performance Computing in Science and Engineering ’14: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014 (pp. 163–178). Springer International Publishing. https://doi.org/10.1007/978-3-319-10810-0_12
Register to see more suggestions
Mendeley helps you to discover research relevant for your work.
