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A theoretical study of Li as n-type dopants for diamond: the role of aggregation

✍ Scribed by Goss, J. P. ;Eyre, R. J. ;Briddon, P. R.

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
577 KB
Volume
204
Category
Article
ISSN
0031-8965

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✦ Synopsis

Abstract

The formation of n‐type diamond has proved highly challenging, with the best species to date being the relatively deep phosphorus donor. Theory suggests that interstitial Li may be a superior donor species. In this paper we report the first principles modelling of Li as a donor, and report on the highly energetically favourable aggregation process that limits the likely success for Li‐based n‐type material. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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