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Lookup NU author(s): Dr Amit Tiwari, Professor Jon Goss, Professor Patrick Briddon, Professor Nick Wright, Dr Alton Horsfall, Richard Jones, Dr Mark Rayson
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The chemical termination of diamond has a dramatic impact on its electrical and chemical properties, where hydrogen and oxygen termination produce negative and positive electron affinities, respectively. However, the impact of halogen termination is not fully understood. We show that for low-index surfaces, 100% fluorinated surfaces exhibit chemically stable positive electron affinities in the 1.17 to 2.63 eV range, whereas 100% chlorination is energetically unfavorable. At lower coverage the positive electron affinity is smaller, being a combination of halogen-terminated and unterminated sites. For mixed halogen and hydrogen termination, a wide range of negative and positive electron affinities can be achieved by varying the relative concentrations of adsorbed species.
Author(s): Tiwari AK, Goss JP, Briddon PR, Wright NG, Horsfall AB, Jones R, Pinto H, Rayson MJ
Publication type: Article
Publication status: Published
Journal: Physical Review B
Year: 2011
Volume: 84
Issue: 24
Pages: 245305
Print publication date: 09/12/2011
ISSN (print): 1098-0121
ISSN (electronic): 1550-235X
Publisher: American Physical Society
URL: http://dx.doi.org/10.1103/PhysRevB.84.245305
DOI: 10.1103/PhysRevB.84.245305
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