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Theoretical and experimental investigation of point defects in cubic boron nitride

Published online by Cambridge University Press:  16 January 2017

Nicholas L. McDougall ,
Jim G. Partridge ,
Desmond W. M. Lau ,
Philipp Reineck ,
Brant C. Gibson ,
Takeshi Ohshima  and
Dougal G. McCulloch
Nicholas L. McDougall*
Affiliation:
Physics, School of Science, RMIT University, GPO Box 2476, Melbourne, Victoria, 3001, Australia.
Jim G. Partridge
Affiliation:
Physics, School of Science, RMIT University, GPO Box 2476, Melbourne, Victoria, 3001, Australia.
Desmond W. M. Lau
Affiliation:
ARC Centre of Excellence for Nanoscale BioPhotonics, RMIT University, GPO Box 2476, Melbourne, Victoria, 3001, Australia.
Philipp Reineck
Affiliation:
ARC Centre of Excellence for Nanoscale BioPhotonics, RMIT University, GPO Box 2476, Melbourne, Victoria, 3001, Australia.
Brant C. Gibson
Affiliation:
ARC Centre of Excellence for Nanoscale BioPhotonics, RMIT University, GPO Box 2476, Melbourne, Victoria, 3001, Australia.
Takeshi Ohshima
Affiliation:
Japan Atomic Energy Research Institute, 1233 Watanuki, Takasaki, Gunma 370-1292, Japan.
Dougal G. McCulloch
Affiliation:
Physics, School of Science, RMIT University, GPO Box 2476, Melbourne, Victoria, 3001, Australia.
*
*(Email: nicholas.mcdougall@rmit.edu.au)
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Abstract

Cubic boron nitride (cBN) is a synthetic wide band gap material that has attracted attention due to its high thermal conductivity, optical transparency and optical emission. In this work, defects in cBN have been investigated using experimental and theoretical X-ray absorption near edge structure (XANES). Vacancy and O substitutional defects were considered, with O substituted at the N site (ON) to be the most energetically favorable. All defects produce unique signatures in either the B or N K-edges and can thus be identified using XANES. The calculations coupled with electron-irradiation / annealing experiments strongly suggest that ON is the dominant defect in irradiated cBN and remains after annealing. This defect is a likely source of optical emission in cBN.

Keywords

electronic structureelectron irradiationsimulation
Type
Articles
Information
MRS Advances , Volume 2 , Issue 29: Nanomaterials , 2017 , pp. 1545 - 1550
Copyright
Copyright © Materials Research Society 2017 

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References

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