含锂原子吸附的苯分子链的振动和自发对称性破缺
Chains of benzenes with lithium-atom adsorption: Vibrations and spontaneous symmetry breaking
摘要：
我们研究了不同构型的吸附物对聚并苯和聚对苯的振动模式和对称性的影响，重点是锂原子的吸附。我们发现，振动模式的光谱区分不同的配置。对于更规则的吸附方案的最低状态是弯曲和扭转模式的骨架，这基本上是其次是吸附质。在聚对亚苯基上，我们发现锂的吸附减少并常常消除环之间的扭转，从而增加对称性。由于锂原子在交替环上的双重吸附，聚对苯撑存在自发对称性破缺。
英文摘要：
We study effects of different configurations of adsorbates on the vibrational modes as well as symmetries of polyacenes and poly-p-phenylenes focusing on lithium atom adsorption. We found that the spectra of the vibrational modes distinguish the different configurations. For more regular adsorption schemes the lowest states are bending and torsion modes of the skeleton, which are essentially followed by the adsorbate. On poly-p-phenylenes we found that lithium adsorption reduces and often eliminates the torsion between rings thus increasing symmetry. There is spontaneous symmetry breaking in poly-p-phenylenes due to double adsorption of lithium atoms on alternating rings.
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