ePrints

Mg-H and Be-H complexes in cubic boron nitride

Lookup NU author(s): Professor Patrick Briddon

Downloads

Full text for this publication is not currently held within this repository. Alternative links are provided below where available.

Abstract

Ab initio calculations on hydrogen complexes with Mg and Be impurities in c-BN are reported. We find that both impurities are acceptors and both bind H to form passive defects. However, their structures are different. For Be-H, the H atom lies at a puckered bond-centre configuration similar to that of C-H in GaAs, while in Mg-H, the H atom lies at a site anti-bonding to a N neighbour of the impurity. The hydrogen-related vibrational modes of the two complexes are also reported.

Publication metadata

Author(s): Pinho NMC, Torres VJB, Jones R, Briddon PR, Oberg S

Publication type: Article

Publication status: Published

Journal: Journal of Physics Condensed Matter

Year: 2001

Volume: 13

Issue: 40

Pages: 8951-8956

ISSN (print): 0953-8984

ISSN (electronic): 1361-648X

Publisher: Institute of Physics Publishing Ltd.

URL: http://dx.doi.org/10.1088/0953-8984/13/40/310

DOI: 10.1088/0953-8984/13/40/310

Altmetrics

Share