ELECTRONIC-STRUCTURES OF LAYERED C-60 AND C-70 ON SI(100) SURFACE

被引：40

作者：

KAWAZOE, Y

KAMIYAMA, H

MARUYAMA, Y

OHNO, K

机构：

[1] Institute for Materials Research, Tohoku University, Aoba-ku, Sendai, 980

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS | 1993年 / 32卷 / 3B期

关键词：

FULLERENE; STM; SILICON; SURFACE; ELECTRONIC STRUCTURE; THEORY; MIXED-BASIS;

D O I：

10.1143/JJAP.32.1433

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Two-dimensional band structure calculation is carried out for the c(4 x 3) C60 and perfect triangular C70 lattices by using a mixed-basis approach in which wave functions are expanded with not only plane waves but also the 1s and 2p atomic orbitals of carbon atoms. The effect of the Si(100) substrate is taken into account by simply assuming a charge transfer from Si dimers and a positive charge back-ground. Wave functions of excess charge on these microclusters are analyzed, and the resulting partial charge distributions explain the electron cloud images observed recently with scanning tunneling microscopy (STM).

引用

页码：1433 / 1437

页数：5

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