<正> The formation mechanism for the equilateral triangle structure of Li3 cluster is proposed. The curve of thetotal energy versus the interatomic distance for this structure has been calculated by using the method of Gou’s ModifiedArrangement Channel Quantum Mechanics. The result sbows that the curve has a minimal energy of-22.338 60 a.u atR=5.82 a0.The total energy of Li3 when R approaches ∞ has the value of-22.284 09 a.u. This is also the total energyof three lithium atoms dissociated from Li3. The difference value of 0.0545 08 a.u. for the above two energy values isthe dissociation energy of Li3 cluster, which is also its bindirng energy Therefore the binding energy per lithium atomfor Li3 is 0.018 169 a.u.=0.494 eV, Which is greater than the binding energy of 0.453 eV per atom for Li2 calculatedin a previous work. This means that the Li3 cluster may be formed in the equilateral triangle structure of side lengthR=5.82a0 stably with a stronger binding from the symmetrical interaction among the three lithium atoms.
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