6533b7d1fe1ef96bd125cf4c
RESEARCH PRODUCT
Theory of the growth mode for a thin metallic film on an insulating substrate
David FuksSimon DorfmanSimon DorfmanA. Marshall StonehamEugene A. KotominEugene A. KotominYuri F. ZhukovskiiYuri F. Zhukovskiisubject
SilverCondensed matter physicsChemistryThermodynamic equilibriumAb initio quantum chemical methods and calculationsAb initioEquilibrium thermodynamics and statistical mechanicsCrystal growthSurfaces and InterfacesElectronic structureGrowthCondensed Matter PhysicsSurfaces Coatings and FilmsMetalCondensed Matter::Materials ScienceLattice constantTransition metalAb initio quantum chemistry methodsCoatingsvisual_artMaterials Chemistryvisual_art.visual_art_mediumPhysics::Atomic and Molecular ClustersPhysical chemistryMagnesium oxidesdescription
We have developed a novel theory predicting the growth mode of a thin metallic film on an insulating substrate. This combines ab initio electronic structure calculations for several ordered metal/insulator interfaces (varying both coverage and substrate lattice constant), with a thermodynamic approach based on microscopic calculations. We illustrate this approach for Ag film deposited on MgO(0 0 1) substrate. Ab initio calculations predict high mobility of adsorbed silver atoms on the perfect magnesia surface even at low temperatures. Our theoretical analysis clearly demonstrates that the growth of metallic islands is predominant at the initial stage of silver deposition, which agrees with the experimental data. 2001 Published by Elsevier Science B.V.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2002-02-01 | Surface Science |