GEOMETRY AND QUANTUM DELOCALIZATION OF INTERSTITIAL OXYGEN IN SILICON

被引：28

作者：

ARTACHO, E ^{[1
]}

LIZONNORDSTROM, A ^{[1
]}

YNDURAIN, F ^{[1
]}

机构：

[1] UNIV AUTONOMA MADRID,DEPT FIS MAT CONDENSADA,E-28049 MADRID,SPAIN

来源：

PHYSICAL REVIEW B | 1995年 / 51卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.51.7862

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The problem of the geometry of interstitial oxygen in silicon is settled by proper consideration of the quantum delocalization of the oxygen atom around the bond-center position. The calculated infrared absorption spectrum accounts for the 517 and 1136 cm-1 bands in their position, character, and isotope shifts. The asymmetric line shape of the 517 cm-1 peak is also well reproduced. In addition a non-infrared-active symmetric-stretching mode is found at 596 cm-1. First-principles calculations are presented supporting the nontrivial quantum delocalization of the oxygen atom. © 1995 The American Physical Society.

引用

页码：7862 / 7865

页数：4

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