Hydrogen, acceptors, and H-acceptor complexes in GaN

Conference · Thu Oct 31 23:00:00 EST 1996

OSTI ID:394996

Bosin, A; Fiorentini, V ^[1]; Vanderbilt, D ^[2]

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1. Univ. di Cagliari (Italy)
2. Rutgers, The State Univ. of New Jersey, Piscataway, NJ (United States). Dept. of Physics and Astronomy

The authors present ab-initio calculations on energetics and geometries of atomic hydrogen, of several candidate acceptors, and of H-acceptor complexes in wurtzite GaN. For the H-Mg complex in Mg-doped GaN, they calculate the vibrational frequencies of H. Hydrogen is found to be a negative-U center. H-acceptor complex formation is always exothermic. Substitutional Be has a low formation energy and a shallow impurity level, which makes it a good candidate for p-doping in MBE growth. C{sub N} appears not to be shallow. Atomic hydrogen incorporation in undoped GaN is disfavored in an H{sub 2} atmosphere; it becomes favorable in p and n-type conditions in atomic H environments.

• OSTI ID: 394996
• Report Number(s): CONF-951155--; ISBN 1-55899-298-7
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BINDING ENERGY
CHARGE DENSITY
COMPLEXES
CRYSTAL STRUCTURE
DOPED MATERIALS
ENERGY LEVELS
FERMI LEVEL
FORMATION FREE ENERGY
GALLIUM NITRIDES
IMPURITIES
LATTICE VIBRATIONS
MAGNESIUM
RELAXATION