Electron paramagnetic resonance of sulfur at a split-vacancy site in diamond

Journal article

In natural diamonds a sulfur-related paramagnetic center labeled W31 has been previously tentatively assigned to an interstitial sulfur species in a positive charge state. However, we show by combining an assessment of available experimental data and density-functional simulations that the hyperfine tensors can be attributed to a defect made up from sulfur at the center of a divacancy, the so-called split vacancy, in the negative charge state. These acceptors are highly likely to be formed in S-implanted material and are a likely cause for high resistivity in material implanted with sulfur in the attempt to produce n-type conduction. © 2008 The American Physical Society.

Authors: Baker, M; van Wyk, J; Goss, J; Briddon, P

• Publication status: Published
• Journal: Physical Review B
• Volume: 78
• Issue: 23
• Publication date: 2008-12-01
• DOI: 10.1103/PhysRevB.78.235203
• EISSN: 1550-235X
• ISSN: 1098-0121
• Language: English
• Keywords: sulphur; electrical resistivity; paramagnetic resonance; hyperfine interactions; vacancies (crystal); density functional theory; electronic structure; diamond; doping; interstitials; impurity states