Microscopic structure of the E′δ center in amorphous SiO2:: A first principles quantum mechanical investigation

被引：68

作者：

Chavez, JR

Karna, SP

Vanheusden, K

Brothers, CP

Pugh, RD

Singaraju, BK

Warren, WL

Devine, RAB

机构：

[1] USAF, Phillips Lab, Space Mission Technol Div, Kirtland AFB, NM 87117 USA

[2] Sandia Natl Labs, Albuquerque, NM 87185 USA

[3] France Telecom, Ctr Natl Etud Telecommun, F-38243 Meylan, France

来源：

IEEE TRANSACTIONS ON NUCLEAR SCIENCE | 1997年 / 44卷 / 06期

关键词：

D O I：

10.1109/23.658945

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

We report the first ab initio quantum mechanical investigation of the structure of the E'(delta) center in amorphous SiO2 (a-SiO2). Our calculations suggest that the unpaired electron is shared by only two Si atoms, irrespective of the Si cluster size.

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收藏

页码：1799 / 1803

页数：5

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