Browse by author
Lookup NU author(s): Professor Patrick Briddon
Full text for this publication is not currently held within this repository. Alternative links are provided below where available.
We present the results of theoretical calculations of the structure, diffusion and rotational energies, and the ro-vibrational modes, of the hydrogen molecule in the hexagonal part of 4H-SiC and in 2H-GaN. In both materials, the molecule is stable and aligned along the c-axis. Its rotational barrier is sufficiently large that ortho- and para-forms have almost degenerate ro-vibrational modes. The origin of two modes at 4090 and 4110 cm-1 attributed to molecules observed in multi-transmission FTIR experiments on Mg doped insulating GaN grown by OMVPE is discussed.
Author(s): Eberlein TAG, Huggett L, Jones R, Briddon PR
Publication type: Article
Publication status: Published
Journal: Journal of Physics: Condensed Matter
ISSN (print): 0953-8984
ISSN (electronic): 1361-648X
Publisher: Institute of Physics Publishing Ltd
Altmetrics provided by Altmetric