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

Published online by Cambridge University Press:  22 February 2011

Bing-Lin Gu ,
Yutaka Maruyama ,
Jing-Zhi Yu ,
Kaoru Ohno  and
Yoshiyuki Kawazoe
Bing-Lin Gu
Affiliation:
On leave from Department of Physics, Tsinghua University, Beijing, 100084, China
Yutaka Maruyama
Affiliation:
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980, Japan
Jing-Zhi Yu
Affiliation:
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980, Japan
Kaoru Ohno
Affiliation:
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980, Japan
Yoshiyuki Kawazoe
Affiliation:
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980, Japan
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 349: Symposium T – Novel Forms of Carbon II , 1994 , 289
Copyright
Copyright © Materials Research Society 1994

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References

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