Quantum distributions of muonium and hydrogen in crystalline silicon

被引：39

作者：

Miyake, T ^{[1
]}

Ogitsu, T ^{[1
]}

Tsuneyuki, S ^{[1
]}

机构：

[1] Univ Tokyo, Inst Solid State Phys, Minato Ku, Tokyo 1068666, Japan

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 09期

关键词：

D O I：

10.1103/PhysRevLett.81.1873

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Quantum states of normal muonium and atomic hydrogen in crystalline silicon are investigated with the path integral molecular dynamics method using interatomic potentials based on the density functional theory. It is shown that, in spite of instability in the potential energy surface, muonium has a high density at the center of the silicon cage (T site) due to quantum effect in agreement with previous mu SR experiments. A distinct and more classical distribution is suggested for hydrogen.

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页码：1873 / 1876

页数：4

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