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arxiv: cond-mat/9701132 · v1 · submitted 1997-01-19 · ❄️ cond-mat.str-el

Important role of alkali atoms in A4C60

O. Gunnarsson(1) , S.C. Erwin(2) , E. Koch(3) , R.M. Martin(3) ((1) Max-Planck-Institut f\"ur Festk\"orperforschung , Stuttgart , Germany , (2) Complex Systems Theory Branch , Naval Research Laboratory
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Washington (3) Department of Physics University of Illinios Urbana)
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keywords a4c60alkaliatomsa3c60bandimportantrolebroadened
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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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