Computational study of native defects and defect migration in wurtzite AlN: an atomistic approach-Reference-Cited by-同舟云学术

Computational study of native defects and defect migration in wurtzite AlN: an atomistic approach

Published:2023 Issue:28 Volume:11 Page:15482-15498
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Zhu Lei¹^ORCID,Catlow C. Richard A.¹²^ORCID,Hou Qing¹³^ORCID,Zhang Xingfan¹^ORCID,Buckeridge John⁴,Sokol Alexey A.¹^ORCID

Affiliation:

1. Department of Chemistry, University College London, London, WC1H 0AJ, UK

2. School of Chemistry, Cardiff University, Park Place, Cardiff CF10 1AT, UK

3. Institute of Photonic Chips, University of Shanghai for Science and Technology, Shanghai, China

4. School of Engineering, London South Bank University, London, SE1 6NG, UK

Abstract

We derive an empirical, lattice energy consistent interatomic force field model for wurtzite AlN to predict consistently a wide range of physical and defect properties.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/TA/D2TA09503C

Reference102 articles.

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