Vibration and rotation of hydrogen molecule in silicon

被引：20

作者：

Nakamura, KG

Kitajima, M

机构：

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS | 1997年 / 36卷 / 4A期

关键词：

hydrogen in semiconductor; hydrogen in silicon; ab initio calculation; hydrogen molecule; vibrational frequency;

D O I：

10.1143/JJAP.36.2004

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Ab initio Hartree-Fock calculations have been performed on hydrogen molecules in silicon using cluster models, A tetrahedral site ibr the hydrogen molecule is a stable trapping site, and the calculated vibrational frequency of the hydrogen molecule is 4500+/-45 cm(-1), which is in reasonable agreement with the experimentally reported frequency of H-2 in the silicon crystal, The hydrogen molecule is belived to rotate at the tetrahedral site at room temperature.

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页码：2004 / 2006

页数：3

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