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Vacancies in InN and In rich InGaN

Ben Hourahine ,  Simon Kraeusel 

University of Strathclyde, Department of Physics, Glasgow, United Kingdom

Abstract

InN is surprisingly radiation tolerant, motivating the modeling of the simplest native defects with electronic structure theory. Several groups have investigated the two types of native vacancies in InN, despite the known issues of the problematic band-gap. To partly alleviate the effect of the metallic (LDA) or very narrow gap (GGA) electronic structure, we have instead considered extreme indium-rich (>90%) InGaN. The recent work of Zunger et al. suggests that, at least for cubic material, the high concentration limit is well represented by random alloys. Hence we present the results of a new extension of the special quasirandom structure method to consider large numbers of atoms suitable to study defects. Focusing on the nitrogen vacancy system, we discuss the local structure, estimated electronic levels and diffusion barriers in addition to qualitatively discussing the effects on the band-structure.

 

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Presentation: Oral at E-MRS Fall Meeting 2009, Symposium A, by Ben Hourahine
See On-line Journal of E-MRS Fall Meeting 2009

Submitted: 2009-05-11 12:33
Revised:   2009-06-07 00:48