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Ab initio bandstructure of a layer of nitrogen molecules oriented in a herringbone structure |
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| Authors: | M Seel H-J Freund |
| Institution: | Lehrstuhl für Theoretische Chemie, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, D-8520 Erlangen-Nürnberg, W. Germany;Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, D-8520 Erlangen-Nürnberg, W. Germany |
| Abstract: | Dispersion curves for nitrogen molecules physisorbed on graphite in the herringbone (2√3 x √3) structure are calculated and compared to recent angular resolved photoemission spectra. The calculated splitting at Г̄ of the 3σg derived molecular state and its disappearance at the Brillouin zone boundary is in good agreement with the observed spectrum. It is shown that the photoemission data for CO/Ag(1 1 1) can be also interpreted in terms of a herringbone structure. |
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