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The development of the 3p and 4p valence band of small aluminum and gallium clusters

The development of the 3p and 4p valence band of small aluminum and gallium clusters

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CHA, Chia-Yen, Gerd GANTEFÖR, Wolfgang EBERHARDT, 1994. The development of the 3p and 4p valence band of small aluminum and gallium clusters. In: Journal of Chemical Physics. 100(2), pp. 995-1010. Available under: doi: 10.1063/1.466582

@article{Cha1994devel-5034, title={The development of the 3p and 4p valence band of small aluminum and gallium clusters}, year={1994}, doi={10.1063/1.466582}, number={2}, volume={100}, journal={Journal of Chemical Physics}, pages={995--1010}, author={Cha, Chia-Yen and Ganteför, Gerd and Eberhardt, Wolfgang} }

Photoelectron spectra of Al<sup> - </sup><sub>n</sub> and Ga<sup> - </sup><sub>n</sub> clusters in the size range n=1–15 are presented. Using 5.0 and 3.68 eV UV light (KrF excimer and nitrogen laser, respectively), electrons from molecular orbitals corresponding to the 3p and 4p orbitals of the atoms are detached. The spectra reveal a rich fine structure not observed in earlier experiments. The data are compared with the results of quantum chemical calculations. A change in the pattern of the spectra near n=6 can be interpreted as a transition from planar to compact 3D structures. The spectrum of Al<sup> - </sup><sub>13</sub> agrees with the icosahedral structure predicted for this particle. The data do not agree with jellium model predictions. Differences between Al and Ga data can be correlated with the larger binding energy of the Ga 4s band. Cha, Chia-Yen 1994 Eberhardt, Wolfgang Eberhardt, Wolfgang 2011-03-24T14:52:37Z First publ. in: Journal of Chemical Physics 100 (1994), 2, pp. 995-1010 2011-03-24T14:52:37Z eng deposit-license Ganteför, Gerd application/pdf The development of the 3p and 4p valence band of small aluminum and gallium clusters Ganteför, Gerd Cha, Chia-Yen

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