Using Polarity for Engineering Oxide Nanostructures: Structural Phase Diagram in Free and Supported MgO(111) Ultrathin Films
- 17 November 2004
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 93 (21), 215702
- https://doi.org/10.1103/physrevlett.93.215702
Abstract
Using an ab initio total energy approach, we study the stability of free and Ag(111)-supported MgO(111) ultrathin films. We unravel a novel microscopic mechanism of stabilization of polar oxide orientations, based on a strong modification of the MgO structural phase diagram with respect to the bulk material. We predict that, at low thickness, films which are either unsupported or deposited on Ag(111) display a graphitelike structure rather than the expected rocksalt one. Our results provide a consistent interpretation of recent experimental findings, exemplify the efficiency of this novel stabilization mechanism, and suggest new methods to engineer oxide nanostructures.
Keywords
This publication has 28 references indexed in Scilit:
- Determination of Atomic Structure of the Metal-Oxide Interface: Pd Nanodeposits on an FeO(111) FilmPhysical Review Letters, 2003
- Formation of surface color centers at differently coordinated sites: MgO/Ag(1,1,19)Physical Review B, 2003
- MgO/Ag(100): Confined vibrational modes in the limit of ultrathin filmsPhysical Review B, 2003
- Transformations between tetrahedrally and octahedrally coordinated crystals: the wurtzite $\rightarrow$ rocksalt and blende $\rightarrow$ rocksalt mechanismsJournal of Physics: Condensed Matter, 2002
- Surface chemistry and catalysis on well-defined epitaxial iron-oxide layersProgress in Surface Science, 2002
- Insulator at the Ultrathin Limit: MgO on Ag(001)Physical Review Letters, 2001
- Growth of thin, crystalline oxide, nitride and oxynitride films on metal and metal alloy surfacesSurface Science Reports, 2000
- Atomic-oxygen-assisted MBE growth of α on α(0001): Metastable FeO(111)-like phase at subnanometer thicknessesPhysical Review B, 1999
- Oxide surfacesReports on Progress in Physics, 1996
- Formation of a well-ordered aluminium oxide overlayer by oxidation of NiAl(110)Surface Science, 1991