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The Effects of Molecular Orientation on the Electronic Structure of the Solid Fullerites

  • Bing-Lin Gu (a1), Yutaka Maruyama (a2), Jing-Zhi Yu (a2), Kaoru Ohno (a2) and Yoshiyuki Kawazoe (a2)...

Abstract

The effects of C60 molecular orientation and rotation on the electronic structure of fcc C60 solid have been investigated by performing a band structure calculation with self-consistent mixed-basis all electron and full-potential approach within local density approximation. We present an angle-dependent density of states of HOMO and LUMO bands, which should be compared to the angle-resolved photoemission data.

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