ELECTRONIC-STRUCTURE OF A LINEAR C-60 POLYMER

被引：47

作者：

TANAKA, K ^{[1
]}

MATSUURA, Y ^{[1
]}

OSHIMA, Y ^{[1
]}

YAMABE, T ^{[1
]}

ASAI, Y ^{[1
]}

TOKUMOTO, M ^{[1
]}

机构：

[1] ELECTROTECH LAB,TSUKUBA,IBARAKI 305,JAPAN

来源：

SOLID STATE COMMUNICATIONS | 1995年 / 93卷 / 02期

关键词：

D O I：

10.1016/0038-1098(94)00647-4

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure of a C-60-polymer chain was studied based on the tight-binding calculation including both sigma and pi electrons. The C-60-polymer turns out semiconducting with a finite band gap (ca 1.1eV) and its lowest unoccupied (LU) band is no more degenerate. The LU bandwidth of this polymer is generally smaller than that of A(3)C(60) by more than one order of magnitude around the Fermi level assuring that C-60(-1)-polymer (o-RbC60) is a strongly correlated system (U/t >> 1) and can have the antiferromagnetic ground state. Such reduction of t comes from the cut of pi-conjugation on the surface of C-60 molecule by the bridging.

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页码：163 / 165

页数：3

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