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Hydrogen molecules in 4H-SiC and 2H-GaN

Lookup NU author(s): Professor Patrick Briddon


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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.

Publication metadata

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

Publication type: Article

Publication status: Published

Journal: Journal of Physics: Condensed Matter

Year: 2003

Volume: 15

Issue: 39

Pages: S2897-S2902

ISSN (print): 0953-8984

ISSN (electronic): 1361-648X

Publisher: Institute of Physics Publishing Ltd


DOI: 10.1088/0953-8984/15/39/013


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