Electronic structure of nanocrystalline amorphous silicon: a novel quantum size effect

被引：9

作者：

Nomura, S ^{[1
]}

Iitaka, T ^{[1
]}

Zhao, X ^{[1
]}

Sugano, T ^{[1
]}

Aoyagi, Y ^{[1
]}

机构：

[1] Inst Phys & Chem Res, Wako, Saitama 35101, Japan

来源：

MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY | 1998年 / 51卷 / 1-3期

关键词：

nanocrystal; silicon; size effect; pseudopotential;

D O I：

10.1016/S0921-5107(97)00248-1

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report a pseudopotential calculation of a model nanocrystalline Si embedded in amorphous Si up to 13 824 atoms and show a novel quantum size effect in this model system. This large scale pseudopotential calculation has been made possible by a real-time real-space higher-order finite difference method. It is shown that the peaks at around -1 and -2 eV shift to higher energy with decrease in size of nanocrystalline phase. (C) 1998 Elsevier Science S.A. All rights reserved.

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收藏

页码：146 / 149

页数：4

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