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  4. Nitrogen-vacancy defects in germanium
 
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Nitrogen-vacancy defects in germanium
File(s)
5.0080958.pdf (22.86 MB)
Published version
ESI.docx (3.52 MB)
Supporting information
Author(s)
Kuganathan, Navaratnarajah
Grimes, Robin
Chroneos, Alexander
Type
Journal Article
Abstract
While nitrogen doping has been investigated extensively in silicon, there is only limited information on its interaction with vacancies in germanium, despite most point defect processes in germanium being vacancy controlled. Thus, spin polarized density functional theory calculations are used to examine the association of nitrogen with lattice vacancies in germanium and for comparison in silicon. The results demonstrate significant charge transfer to nitrogen from nearest neighbour Ge and strong N-Ge bond formation. The presence of vacancies results in a change in nitrogen coordination (from tetrahedral to trigonal planar) though the total charge transfer to N is maintained. A variety of different nitrogen vacancy clusters are considered all of which demonstrated strong binding energies. Substitutional nitrogen remains an effective trap for vacancies even if it has already trapped one vacancy.
Date Issued
2022-04-01
Date Acceptance
2022-03-18
Citation
AIP Advances, 2022, 12 (4)
URI
http://hdl.handle.net/10044/1/96057
ISSN
2158-3226
Publisher
American Institute of Physics
Journal / Book Title
AIP Advances
Volume
12
Issue
4
Copyright Statement
© 2022 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/)
License URL
http://creativecommons.org/licenses/by/4.0/
Subjects
0205 Optical Physics
0206 Quantum Physics
0906 Electrical and Electronic Engineering
Publication Status
Published
Article Number
ARTN 045110
Date Publish Online
2022-04-06
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