Precursor of copper nitride films: laser photoionization of Cu(NH3)n clusters in a supersonic beam

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摘要：

The results of spectroscopic studies of Cu(NH3)n clusters formed in a supersonic beam from the laser ablated metal in gaseous ammonia are reported here. The ionization potentials (IP) of clusters with n=2–9 have been measured. The observed IPs are shifted to lower energies with respect to the bare Cu atom IP. They appear to decrease monotonically with increasing cluster size. This trend is consistent with a model in which the unpaired valence electron of the ground electronic state is delocalized in a well bound surface state. The data are confirmed by energetics and structure calculations performed by the density functional method.

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关键词：

Theoretical or Mathematical, Experimental/ copper compounds density functional theory ground states ionisation potential ionised cluster beam deposition laser beam effects molecular clusters photoionisation surface states/ copper nitride films laser photoionization Cu(NH 3) n clusters supersonic beam spectroscopic studies laser ablated metal gaseous ammonia ionization potentials cluster size unpaired valence electron ground electronic state bound surface state density functional method CuN Cu(NH 3) / A8115J Ion plating and other vapour deposition A6855 Thin film growth, structure, and epitaxy A3380E Autoionization, photoionization, and photodetachment of molecules A3640J Interactions of clusters (collisions and reactions) A3520V Molecular ionization potentials, electron affinities, molecular core binding energy A3120J Local density approximation (atoms and molecules)/ CuN/sur Cu /sur N/sur CuN/bin Cu /bin N/bin CuNH3/ss Cu /ss H3/ss H/ss N /ss