首页|Formation Mechanism and Binding Energy for Body-Centred Regular Octahedral Structure of Li_7 Cluster
Formation Mechanism and Binding Energy for Body-Centred Regular Octahedral Structure of Li_7 Cluster
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The formation mechanism for the body-centred regular octahedral structure of Li_7 cluster is proposed. The curve of the total energy versus the separation R between the nucleus at the centre and nuclei at the apexes for this structure of Li_7 has been calculated by using the method of Gou's modified arrangement channel quantum mechanics (MACQM). The result shows that the curve has a minimal energy of -52.169 73 a.u. at R= 5.06a_0. When R approaches infinity, the total energy of seven lithium atoms has the value of -51.996 21 a.u. So the binding energy of Li_7 with respect to seven lithium atoms is 0.173 52 a.u. Therefore the binding energy per atom for Li_7 is 0.024 79 a.u. or 0.674 eV, which is greater than the binding energy per atom of 0.453 eV for Li_2, the binding energy per atom of 0.494 eV for Li_3 and the binding energy per atom of 0.632 eV for Li_5 calculated previously by us. This means that the Li_7 cluster may be formed stably in a body-centred regular octahedral structure with a greater binding energy.
Li_7 clusterformation mechanismbinding energy
MA Hai-Rong、LI Ping、GOU Qing-Quan、LI Hui-Li
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Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
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