University of Surrey

Test tubes in the lab Research in the ATI Dance Research

Calculated properties of point defects in Be-doped GaN

Latham, CD, Nieminen, RM, Fall, CJ, Jones, R, Öberg, S and Briddon, PR (2003) Calculated properties of point defects in Be-doped GaN Physical Review B: Condensed Matter and Materials Physics, 67 (20), 205206.

[img]
Preview
PDF (licence)
SRI_deposit_agreement.pdf

Download (33kB)
[img]
Preview
PDF
latham-PRB-67-205206.pdf
Available under License : See the attached licence file.

Download (93kB)

Abstract

The properties of several point defects in hexagonal gallium nitride that can compensate beryllium shallow acceptors (BeGa) are calculated using the AIMPRO method based on local density functional theory. BeGa itself is predicted to have local vibrational modes (LVM’s) very similar to magnesium acceptors. The highest frequency is about 663cm-1. Consistent with other recent studies, we find that interstitial beryllium double donors and single-donor beryllium split interstitial pairs at gallium sites are very likely causes of compensation. The calculations predict that the split interstitial pairs possess three main LVM’s at about 1041, 789, and 738cm-1. Of these, the highest is very close to the experimental observation in Be-doped GaN. Although an oxygen donor at the nearest-neighboring site to a beryllium acceptor (BeGa-ON) is also a prime suspect among defects that are possibly responsible for compensation, its highest frequency is calculated to be about 699cm-1 and hence is not related in any way to the observed center. Another mode for this defect is estimated to be about 523cm-1 and is localized on the ON atom. These two vibrations of BeGa-ON are thus equivalent to those for the isolated substitutional centers perturbed by the presence of their impurity partners.

Item Type: Article
Divisions : Faculty of Engineering and Physical Sciences > Chemistry
Authors :
AuthorsEmailORCID
Latham, CDUNSPECIFIEDUNSPECIFIED
Nieminen, RMUNSPECIFIEDUNSPECIFIED
Fall, CJUNSPECIFIEDUNSPECIFIED
Jones, RUNSPECIFIEDUNSPECIFIED
Öberg, SUNSPECIFIEDUNSPECIFIED
Briddon, PRUNSPECIFIEDUNSPECIFIED
Date : 15 May 2003
Identification Number : 10.1103/PhysRevB.67.205206
Related URLs :
Additional Information : Copyright 2003 The American Physical Society.
Depositing User : Symplectic Elements
Date Deposited : 14 Dec 2012 12:36
Last Modified : 23 Sep 2013 19:54
URI: http://epubs.surrey.ac.uk/id/eprint/741006

Actions (login required)

View Item View Item

Downloads

Downloads per month over past year


Information about this web site

© The University of Surrey, Guildford, Surrey, GU2 7XH, United Kingdom.
+44 (0)1483 300800