Global search for stable screw dislocation cores in III-N semiconductors

Kraeusel, Simon and Hourahine, Benjamin (2012) Global search for stable screw dislocation cores in III-N semiconductors. Physica Status Solidi A, 209 (1). pp. 71-74. ISSN 1862-6300

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Official URL: https://doi.org/10.1002/pssa.201100097

Abstract

The promise of the broad range of direct band gaps of the {Al,Ga,In}N system is limited by the crystal quality of current material. As grown defect densities of InN, when compared with the more mature GaN, are extremely high and InN is strongly influenced by these defects. This is particularly important due to the unusual position of the charge neutrality level of InN, leading to both the well known surface charge accumulation and difficulties in p-type doping. While impurities and native defects clearly impact on the bulk carrier density in InN, the effects of threading dislocations on the electrical properties are still in dispute. Issues such as whether the dislocation line is charged or contains dangling bonds remain open. We present the results of a global search for possible dislocation core reconstructions for a range of screw dislocations in wurtzite III-N material, utilizing empirical Stillinger-Weber inter-atomic potentials. In addition we investigate a wide range of non-stoichiometric core structures.

Creators(s):	Kraeusel, Simon and Hourahine, Benjamin ORCID: https://orcid.org/0000-0002-7667-7101;
Item type:	Article
ID code:	42201
Keywords:	semiconductors , stable screw dislocation , crystal structures, Solid state physics. Nanoscience, Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Electronic, Optical and Magnetic Materials, Electrical and Electronic Engineering, Condensed Matter Physics
Subjects:	Science > Physics > Solid state physics. Nanoscience
Department:	Faculty of Science > Physics
Depositing user:	Pure Administrator
Date deposited:	26 Nov 2012 14:01
Last modified:	20 Jan 2021 19:48
Related URLs:	Scopus publication
URI:	https://strathprints.strath.ac.uk/id/eprint/42201
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