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Lookup NU author(s): Professor Patrick Briddon
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Ab initio calculations on hydrogen complexes with Mg and Be impurities in c-BN are reported. We find that both impurities are acceptors and 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 C-H in GaAs, while in Mg-H the H atom lies at an anti-bonding site to an N neighbour of the impurity. The hydrogen related vibrational modes of the two complexes are also reported. © 2001 Elsevier Science B.V. All rights reserved.
Author(s): Pinho NMC, Torres VB, Jones R, Oberg S, Briddon PR
Publication type: Article
Publication status: Published
Journal: Physica B: Condensed Matter
ISSN (print): 0921-4526
ISSN (electronic): 1873-2135
Publisher: Elsevier B.V.
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