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Oxygen incorporation in aluminum nitride via extended defects: Part I. Refinement of the structural model for the planar inversion domain boundary

Published online by Cambridge University Press:  03 March 2011

Alistair D. Westwood ,
Robert A. Youngman ,
Martha R. McCartney ,
Alastair N. Cormack  and
Michael R. Notis
Alistair D. Westwood
Affiliation:
Department of Materials Science and Engineering, Lehigh University, Bethlehem. Pennsylvania 18015
Robert A. Youngman
Affiliation:
Carborundum Microelectronics Company, 10409 S. 50th Place, Phoenix, Arizona 85044
Martha R. McCartney
Affiliation:
Center for Solid State Science, Arizona State University, Tempe, Arizona 85287
Alastair N. Cormack
Affiliation:
New York State College of Ceramics, Alfred University, Alfred, New York 14802
Michael R. Notis
Affiliation:
Department of Materials Science and Engineering, Lehigh University, Bethlehem, Pennsylvania 18015
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Abstract

The model proposed by Harris et al. [J. Mater. Res. 5, 1763–1773 (1990)], describing planar inversion domain boundaries in aluminum nitride, consists of a basal plane of aluminum atoms octahedrally coordinated with respect to oxygen, and with a translation of R = 1/3〈1011〉. This thin sandwich is inserted onto the basal plane of the wurtzite structure of aluminum nitride. This model does not take into consideration any interfacial relaxation phenomena, and is arguably electrically unstable. Therefore, this paper presents a refinement of the model of Harris et al., by incorporating the structural relaxations arising from modifications in local chemistry. The interfacial structure was investigated through the use of conventional transmission electron microscopy, convergent electron diffraction, high resolution transmission electron microscopy, analytical electron microscopy, and atomistic computer simulations. The refined planar inversion domain boundary model is closely based on the original model of Harris et al.; however, the local chemistry is changed, with every fourth oxygen being replaced by a nitrogen. Atomistic computer simulation of these defects, using a classical Born model of ionic solids, verified the stability of these defects as arising from the adjustment in the local chemistry. The resulting structural relaxations take the form of a 0.3 mrad twist parallel to the interface, a contraction of the basal planes adjacent to the planar inversion domain boundary, and an expansion of the c-axis component of the displacement vector; the new displacement vector across the interface is R = 1.3〈1010〉 + ∊〈0001〉, where ∊meas = 0.387 and ∊calc = 0.394.

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Articles
Information
Journal of Materials Research , Volume 10 , Issue 5 , May 1995 , pp. 1270 - 1286
Copyright
Copyright © Materials Research Society 1995

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