Jump to main content
Jump to site search

Issue 28, 2019
Previous Article Next Article

Core properties and the role of screw dislocations in the bulk n-type conductivity in InN

Author affiliations

Abstract

First principles calculations, based on density functional theory, have been carried out to investigate the role of screw dislocations in the bulk n-type conductivity which is usually observed in indium nitride. Energetics, atomic and electronic structures of different core configurations of dislocations, running along the [0001] polar or along the [11[2 with combining macron]0] non-polar direction, have been determined and compared. This enabled inspection of the modifications in the properties of screw dislocations when the growth direction is changed. For the c-type screw dislocation, the configuration with a double 6-atom ring, involving wrong bonds was revealed as a ground state configuration, and for the a-type screw dislocation, the shuffle configuration was found to be energetically favoured over glide ones. Unlike core configurations of the a-type screw dislocation, those of the c-type screw dislocation have their Fermi levels pinned in the conduction band and thus act as a source of non-intentional n-type conductivity. This demonstrates that eliminating the contribution of screw dislocations to the n-type conductivity can be achieved by growing wurtzite InN along the non-polar direction.

Graphical abstract: Core properties and the role of screw dislocations in the bulk n-type conductivity in InN

Back to tab navigation

Supplementary files

Article information


Submitted
12 Apr 2019
Accepted
01 Jul 2019
First published
01 Jul 2019

Phys. Chem. Chem. Phys., 2019,21, 15767-15778
Article type
Paper

Core properties and the role of screw dislocations in the bulk n-type conductivity in InN

I. Belabbas, L. Pizzagalli, J. Kioseoglou and J. Chen, Phys. Chem. Chem. Phys., 2019, 21, 15767
DOI: 10.1039/C9CP02062D

Social activity

Search articles by author

Spotlight

Advertisements