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Important role of alkali atoms in A4C60

O. Gunnarsson·S. C. Erwin·E. Koch·R. M. Martin
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Abstract

We show that hopping via the alkali atoms plays an important role for the t1u band of A4C60 (A=K, Rb), in strong contrast to A3C60. Thus the t1u band is broadened by more than 40 % by the presence of the alkali atoms. The difference between A4C60 and A3C60 is in particular due to the less symmetric location of the alkali atoms in A4C60.

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O. Gunnarsson, S. C. Erwin, E. Koch, R. M. Martin. 1997-01-19. Important role of alkali atoms in A4C60. https://doi.org/10.1103/physrevb.57.2159

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