Phosphorous–vacancy–oxygen defects in silicon
2013
Wang, H. | Chroneos, A. | Hall, D. | Sgourou, E. N. | Schwingenschlögl, U.
Electronic structure calculations employing the hybrid functional approach are used to gain fundamental insight in the interaction of phosphorous with oxygen interstitials and vacancies in silicon. It recently has been proposed, based on a binding energy analysis, that phosphorous–vacancy–oxygen defects may form. In the present study we investigate the stability of this defect as a function of the Fermi energy for the possible charge states. Spin polarization is found to be essential for the charge neutral defect.
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书目信息
Journal of materials chemistry A
卷
1
期
37
页码
11384
- 11388
ISSN
2050-7496
出版者
The Royal Society of Chemistry
语言
英语
类型
Journal Article; Text
2024-02-29
MODS