Tuning donor level of nitrogen-doped diamond by deep strain engineering—An ab initio study

Limin Yang; Rong Fan; Alice Hu; Junzhang Ma; Yingxia Liu; Yang LU

doi:10.1063/5.0159829

Author(s)

Limin Yang

Related Research Unit(s)

Detail(s)

Original language	English
Article number	062105
Journal / Publication	Applied Physics Letters
Volume	123
Issue number	6
Publication status	Published - 7 Aug 2023

Link(s)

DOI	DOI https://doi.org/10.1063/5.0159829 Final Published version
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Attachment(s)	Documents 164768873.pdf Final Published version, 1.86 MB, PDF Publisher's Copyright Statement This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Limin Yang, Rong Fan, Alice Hu, Junzhang Ma, Yingxia Liu, Yang Lu; Tuning donor level of nitrogen-doped diamond by deep strain engineering—An ab initio study. Appl. Phys. Lett. 7 August 2023; 123 (6): 062105. and may be found at https://doi.org/10.1063/5.0159829.
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-85170650403&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(09c4383b-41d6-4e7a-a66d-9c104eeea305).html

Abstract

The development of diamond semiconductor devices has been hindered by the challenge of preparing n-type diamond with a shallow donor state. Recently, elastic strain engineering has emerged as a promising strategy for modulating the electrical properties of diamond. In this study, we used first-principles calculations to investigate the influence of large, uniaxial elastic strain on the electrical properties of nitrogen (N)-doped diamond, particularly the donor level. We found that both tensile and compressive strains can shift the donor level of N to a shallower state, but compressive strains of more than 9% along [100] appear more effective in making N a shallower donor in strained diamond. This study offers insights for future experimental design to combine strain engineering and doping toward practical diamond semiconductor devices. © 2023 Author(s). Published under an exclusive license by AIP Publishing.