Thin layers of aluminium: A molecular orbital study |
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| Authors: | R Boča I Benkovský D Faktor L' Benco |
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| Institution: | (1) Department of Inorganic Chemistry, Slovak Technical University, Radlinského 9, 812 39 Bratislava, Slovakia;(2) Department of Microelectronics, Slovak Technical University, Mlynská dolina, 812 19 Bratislava, Slovakia;(3) Institute of Inorganic Chemistry, Slovak Acad. Sci., Dúbravská cesta, 842 35 Bratislava, Slovakia |
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| Abstract: | Molecular beam epitaxy has been used to prepare thin layers (200 nm thickness) of aluminium grown either on aluminium or gallium arsenide substrates; their He(I) and He(II) photoelectron spectra have been recorded. The quasirelativistic CNDO/1 method has been applied to investigate the band structure of {Al}172, {Al}284 and {Al}424 clusters obtained by a duplication of the unit cell: the DOS profiles and their projections were generated. These data were correlated with the periodic crystal orbitals of the EHT quality. The first excitation energy serves as a better estimate of the vanishing energy gap showing thus a metallic character of aluminium. |
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