Novel Defect Complexes and Their Role in p-Type Doping of GaN


Fernando A. Reboredo
Vanderbilt University

Sokrates T. Pantelides
Oak Ridge National Laboratory

This article was presented as part of Symposium G, "Gallium Nitride and Related Alloys" at the 1998 Fall Meeting of the Materials Research Society held in Boston, Massachusetts, November 30-December 4.

Abstract

It is well known that hydrogen plays a key role in p-type doping of GaN. It is believed that H passivates substitutional Mg during growth by forming a Mgs-N-Hi complex; in subsequent annealing, H is removed, resulting in p-type doping. Several open questions have remained, however, such as experimental evidence for other complexes involving Mg and H and difficul-ties in accounting for the relatively high-temperature anneal needed to remove H. We present first principles calculations in terms of which we show that the doping process is in fact signifi-cantly more complex. In particular, interstitial Mg plays a major role in limiting p-type doping. Overall, several substitutional/interstitial complexes form and can bind H, with vibrational fre-quencies that account for hitherto unidentified observed lines. We predict that these defects, which limit doping efficiency, can be eliminated by annealing in an atmosphere of H and N prior to the final anneal that removes H.

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Cite this article as: MRS Internet J. Nitride Semicond. Res. 4S1, G5.3 (1999).


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