Modelling the size of nitrogen c(2x2) islands on Cu(001) with elastic multisite interactions

作者: Wolfgang Kappus

DOI: 10.1016/J.SUSC.2020.121735

关键词: Covalent bondk-nearest neighbors algorithmAgglomerateDimerMolecular electronicsMonolayerFlory–Huggins solution theoryChemical physicsAtomMaterials science

摘要: Abstract An extended elastic eigenvector approach for adatom interactions is applied to model nitrogen c(2x2) atom islands on Cu(001). Oscillating between monomers or dimers are considered. Attractive pair of adatoms able describe agglomeration but fail explain the size islands. Multisite created by dimers, however, can if an interaction parameter adjusted properly. Finite formed when repulsive monomer balanced attractive monomer-dimer interactions. A simple nearest neighbor attraction and s − 3 repulsion used as example search. Previous experimental studies have shown that in low coverage region atoms agglomerate isolated square about 5 nm  ×  with a structure. With increasing those form regular patterns do not touch below 0.4 monolayers. experiments calculations island pattern show significant effects. Different structures within been analyzed, dimer step reproduce experimentally found size. This requires molecular bond forming dimers. The also compute check it against pattern. Shortcomings limitations discussed open questions formulated.

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