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SYMMETRIES OF JAHN-TELLER STATES IN CHARGED FULLERENES

机译:Jahn-Teller国家的对称富勒森

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摘要

The dynamical Jahn-Teller effect of positively charged fullerene C_(60)~+ is studied systematically within the Bogoliubov-de Gennes formalism, in the presence of Coulomb interactions with full respect of the icosahedral symmetry. With a hole in the electronic HOMO state, the study on the static Jahn-Teller effect shows that D_(5d) is the most stable configuration for C_(60)~+. The dynamical Jahn-Teller effect of C_(60)~+, due to the quantum tunneling between the six equivalent D_(5d) states is also studied which shows a higher potential barrier between the equivalent minima than that of C_(60)~-.
机译:系统地在Bogoliubov-de Gennes形式主义中系统地研究了带正电荷的富勒烯C_(60)〜+的动态Jahn-Teller效应,在Coulomb相互作用的存在下,对Icosaheh对称的全面进行了研究。在电子同性恋状态下,对静态Jahn-alter效果的研究表明,D_(5D)是C_(60)〜+的最稳定配置。 C_(60)〜+的动态Jahn-Teller效应也研究了六当量D_(5D)状态之间的量子隧道,其在比C_(60)的等效最小值之间显示出更高的电位屏障〜 - 。

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