MECHANISM OF HYDROGEN PASSIVATION IN SILICON

被引：0

作者：

SASAKI, T ^{[1
]}

KATAYAMAYOSHIDA, H ^{[1
]}

机构：

[1] TOHOKU UNIV, DEPT PHYS, SENDAI, MIYAGI 980, JAPAN

来源：

INSTITUTE OF PHYSICS CONFERENCE SERIES | 1989年 / 95期

关键词：

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The atomic configuration and the electronic structure of hydrogen and boron acceptor complexes in crystalline silicon are determined using a norm-conserving pseudopotential and supercell methods taking into account lattice relaxation within the local-density approximation. The bond center model is favorable for the hydrogen passivation mechanism because the total energy of the hydrogen and boron complex at the bond center with large lattice relaxation is 0.017 Ry more stable than that at the antibonding site of a silicon-boron covalent bond. Our hydrogen passivation model based upon the three-centered bond is quite different from the classical model based upon the two-centered bond. We also discuss the site assignment of the isolated hydrogen in pure silicon comparing with the data of muon spin rotation.

引用

页码：395 / 404

页数：10

共 22 条

[1] HYDROGEN-ACCEPTOR PAIRS IN SILICON - REPLY [J].