A theoretical study of Li as n‐type dopants for diamond: the role of aggregation | Zendy

Goss J. P. | Zendy; Eyre R. J. | Zendy; Briddon P. R. | Zendy

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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)

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