Formation Mechanism and Binding Energy for Regular Tetrahedral Structure of Li4

GOU Qing-Quan, YANG Jian-Hui, and LI Ping

Communications in Theoretical Physics ›› 2006, Vol. 46 ›› Issue (05) : 914-918.

PDF(233 KB)
Welcome to visit Communications in Theoretical Physics, May 23, 2025
PDF(233 KB)
Communications in Theoretical Physics ›› 2006, Vol. 46 ›› Issue (05) : 914-918.

Formation Mechanism and Binding Energy for Regular Tetrahedral Structure of Li4

Author information +
History +

Abstract

The formation mechanism for the regular tetrahedral structure of Li4 cluster is proposed. The curve of the total energy versus the separation R between the two nuclei 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 -29.8279 a.u. at R=14.50a0. When R approaches infinity the total energy of four lithium atoms has the value of -29.7121 a.u. So the binding energy of Li4 with respect to four lithium atoms is the difference of 0.1158 a.u. for the above two energy values. Therefore the binding energy per atom for Li4 is 0.029 a.u., or 0.7878 eV, which is greater than the binding energy per atom of 0.453 eV for Li2, the binding energy per atom of 0.494 eV for Li3 and the binding energy per atom of 0.632 eV for Li5 calculated previously by us. This means that the Li4 cluster may be formed stably in a regular tetrahedral structure of side length R=14.50a0 with a greater binding energy.

Key words

Li4 cluster / formation mechanism / binding energy

Cite this article

Download Citations
GOU Qing-Quan, YANG Jian-Hui, LI Ping. Formation Mechanism and Binding Energy for Regular Tetrahedral Structure of Li4[J]. Communications in Theoretical Physics, 2006, 46(05): 914-918
PDF(233 KB)

1024

Accesses

0

Citation

Detail

Sections
Recommended

/