Hydrogen in C-rich Si and the diffusion of vacancy-H complexes

被引：25

作者：

Estreicher, S. K. ^{[1
]}

Docaj, A. ^{[1
]}

Bebek, M. B. ^{[1
]}

Backlund, D. J. ^{[1
]}

Stavola, M. ^{[2
]}

机构：

[1] Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA

[2] Lehigh Univ, Dept Phys, Bethlehem, PA 18015 USA

来源：

PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE | 2012年 / 209卷 / 10期

基金：

美国国家科学基金会;

关键词：

C-H complexes; hydrogen; silicon; vacancy-hydrogen complexes; THERMAL DONOR FORMATION; BOND-CENTERED HYDROGEN; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; CRYSTALLINE SILICON; MOLECULAR-DYNAMICS; INTERSTITIAL HYDROGEN; MONATOMIC HYDROGEN; OXYGEN DIFFUSION; INVERTED ORDER;

D O I：

10.1002/pssa.201200054

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The sites, gap levels, and migration barriers of interstitial H in Si are predicted. The hydrogenation of C-rich Si results in the formation of H2*(C) and C2H2, in contrast to FZ-Si where H2 molecules dominate. The fully saturated vacancy (VH4) also forms. This complex is normally stable up to 650 degrees C. However, in C-rich Si, VH4 anneals around 550 degrees C while the VH3HC complex appears. There, C replaces one of the four Si nearest-neighbors to the vacancy. This implies that VH4 begins to diffuse at 550 degrees C, and then traps at Cs. This in turn implies that all the VHn complexes (n?=?1, 2, 3, 4) are mobile at moderate temperatures. In this paper, we discuss the energetics of H in Si, summarize the key experimental and theoretical results about H interactions in C-rich Si, and discuss the migration paths and activation energies of the four VHn complexes.

引用

页码：1872 / 1879

页数：8

共 76 条

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