HYDROGEN PASSIVATION OF ALUMINUM ATOMS IN CRYSTALLINE SILICON

被引：3

作者：

CHIA, LS ^{[1
]}

GOH, NK ^{[1
]}

KHOO, GS ^{[1
]}

ONG, CK ^{[1
]}

机构：

[1] NANYANG TECHNOL UNIV,NATL INST EDUC,SINGAPORE 1025,SINGAPORE

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1991年 / 3卷 / 48期

关键词：

D O I：

10.1088/0953-8984/3/48/003

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The total energy profile or surface for Al-H complexes in a large silicon cluster has been calculated using a self-consistent semi-empirical method. The diffusion path of hydrogen appears to be confined to a low-energy channel in the vicinity of the Si atom which is bonded directly to the Al atom at a substitutional site. The most stable configuration of this Al-H system results when the H atom is located at the bond-centred (BC) site. The system probably contains a Si-H-Al three-centre bond structure of bridging nature. This finding is compared with the Al-H pair assignment based on infrared experiments given by Stavola and co-workers which is based on the Al-H frequency calculated by DeLeo and Fowler.

引用

页码：9613 / 9620

页数：8