A COMPARISON OF THE CORE EXCITON AND NITROGEN DONOR IN DIAMOND

被引：16

作者：

MAINWOOD, A ^{[1
]}

STONEHAM, AM ^{[1
]}

机构：

[1] AEA TECHNOL, DIDCOT OX11 0RA, OXON, ENGLAND

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1994年 / 6卷 / 26期

关键词：

D O I：

10.1088/0953-8984/6/26/013

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We use molecular dynamics with self-consistent quantum chemistry to compare the dynamics of the relaxation processes around the core exciton in diamond with the properties of the nitrogen substitutional atom, which has the same valence electron configuration. Both show a substantial [111] relaxation, associated with the population of an anti-bonding orbital with a neighbouring carbon and not a Jahn-Teller effect. The relaxation into this stable state has no energy barrier in either case, and excites modes of vibration in the frequency range 50-75 meV, with a possible local mode for the core exciton. The lineshapes for the absorption and emission processes in the creation and recombination of the core exciton are obtained from the dynamic calculation.

引用

页码：4917 / 4927

页数：11

共 24 条

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ALVES HWL, 1988, SOLID STATE COMMUN, V5, P495

[2]

[Anonymous], 1970, APPROXIMATE MOL ORBI

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