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A theoretical study of Li as n‐type dopants for diamond: the role of aggregation
Author(s) -
Goss J. P.,
Eyre R. J.,
Briddon P. R.
Publication year - 2007
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200776309
Subject(s) - diamond , dopant , type (biology) , phosphorus , materials science , chemistry , chemical physics , chemical engineering , doping , optoelectronics , metallurgy , ecology , biology , engineering
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)