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Phys. Rev. B 57, R661–R665 (1998)

Nitrogen doping in purely sp2 bonded forms of carbon

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G. Jungnickel, P. K. Sitch, and Th. Frauenheim
Institut für Physik, Theoretische Physik III, Technische Universität, D-09107 Chemnitz, Germany

B. R. Eggen and M. I. Heggie
School of Chemistry, Physics and Environmental Sciences, University of Sussex, Falmer, Brighton BN1 9QJ, United Kingdom

C. D. Latham and C. S. G. Cousins
Department of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, United Kingdom

Received 29 October 1997; published in the issue dated 1 January 1998

We postulate wide-band-gap forms of carbon that locally have a planar bonding configuration as in graphite and, in contrast to diamond, are promising candidates for n-type doping by nitrogen. The presence of localized π bonds makes them as stable as fullerene C60 and causes large band gaps of ≈3 eV to appear. The allotropes accept both nitrogen and boron as substitutional dopants, making them potentially extremely useful for high-power, high-temperature, and high-speed device applications.

© 1998 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.57.R661
DOI:
10.1103/PhysRevB.57.R661
PACS:
71.15.Nc, 81.05.Zx, 82.20.Wt, 85.40.Ry
 
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