Electronic shell structure in simple metal clusters |
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| Affiliation: | 1. Shijiazhuang Institute of Technology, Shijiazhuang 050228, China;2. College of Physics and Hebei Advanced Thin Films Laboratory, Hebei Normal University, Shijiazhuang 050024, China;1. Vinogradov Institute of Geochemistry SB RAS, 1a Favorskii street, 664033 Irkutsk, Russia;2. Institute of Solid State Physics, University of Latvia, Riga, Latvia;3. MAX IV Laboratory, Lund University, Lund, Sweden;1. School of Science, Xi’an University of Posts and Telecommunications, Xi’an 710121, Shaanxi, PR China;2. School of Chemical Engineering, Xi’an University, Xi’an, PR China;1. TU Wien, Institute of Applied Physics, 1040 Vienna, Austria;2. Helmholtz-Zentrum Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, 01328 Dresden, Germany;3. University Duisburg-Essen, Faculty of Physics and CENIDE, 47057 Duisburg, Germany;1. University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, 11001 Belgrade, Serbia;2. South Dakota School of Mines & Technology, Rapid City, SD, USA |
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| Abstract: | The total energies of simple metal clusters (sodium, magnesium, and aluminium) containing up to 100 valence electrons are calculated in the spherical jellium approximation using the local-density-functional scheme. Because of the existence of electronic shell structure, there are abrupt changes in the total energy at certain cluster sizes. This behavior accounts for the peaks or steps found in the mass spectrum of sodium clusters. Predictions for the sizes of magnesium and aluminium clusters which should be abundant in the mass spectra are also discussed. |
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