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Ro-vibrational modes of H2 in 4H-SiC and 2H-GaN

Lookup NU author(s): Professor Patrick Briddon

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Abstract

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 by multi-transmission FTIR experiments on Mg doped insulating GaN grown by OMVPE is discussed. © 2003 Elsevier B.V. All rights reserved.


Publication metadata

Author(s): Eberlein TAG, Huggett L, Jones R, Briddon PR

Editor(s): Bonde Nielsen K., Nylandsted Larsen A., Weyer G.

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: Physica B: Condensed Matter, 22nd International Conference on Defects in (ICDS-22)

Year of Conference: 2003

Pages: 171-174

ISSN: 0921-4526

Publisher: Elsevier BV

URL: http://dx.doi.org/10.1016/j.physb.2003.09.044

DOI: 10.1016/j.physb.2003.09.044


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