Publication Date:
2015-07-03
Description:
We have synthesized RuO 2 and MnO 2 thin films under identical growth conditions using reactive DC sputtering. Strikingly different morphologies, namely, the formation of RuO 2 nanorods and faceted, nanocrystalline MnO 2 , are observed. To identify the underlying mechanisms, we have carried out density functional theory based molecular dynamics simulations of the growth of one monolayer. Ru and O 2 molecules are preferentially adsorbed at their respective RuO 2 ideal surface sites. This is consistent with the close to defect free growth observed experimentally. In contrast, Mn penetrates the MnO 2 surface reaching the third subsurface layer and remains at this deep interstitial site 3.10 Å below the pristine surface, resulting in atomic scale decomposition of MnO 2 . Due to this atomic scale decomposition, MnO 2 may have to be renucleated during growth, which is consistent with experiments.
Print ISSN:
0021-8979
Electronic ISSN:
1089-7550
Topics:
Physics
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