Preliminary results of theoretical studies of hydrogen and hydrogen-related defects in cubic GaN are reported. Our calculations contrast with those of other authors in that the host crystal is represented by molecular clusters rather than periodic supercells, and that they are obtained using an all-electron methodology rather than the single effective-particle approach of density-functional theory. Our results confirm some predictions of other authors but conflict with others.
|Number of pages||6|
|Journal||Materials Research Society Symposium - Proceedings|
|State||Published - 1996|
|Event||Proceedings of the 1996 MRS Spring Symposium - San Francisco, CA, USA|
Duration: Apr 8 1996 → Apr 12 1996