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Observation and theory of the V-O-H-2 complex in silicon

Lookup NU author(s): Dr Jose Coutinho, Professor Patrick Briddon


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The interaction of hydrogen with radiation-induced defects (RD's) in Czochralski-grown silicon crystals has been studied by infrared-absorption spectroscopy and ab initio modeling. Hydrogen and/or deuterium was introduced into the crystals by indiffusion from H-2 (D-2) gas at 1200-1300 degrees C. The samples were subsequently irradiated with fast electrons (E = 2-4 MeV) and annealed in the temperature range of 100-600 degrees C. The centers produced by the irradiation were the same in both the untreated and treated cases, namely the A-center, Ci-Oi complex, and divacancy. A heat treatment of the H-treated samples resulted in the enhanced loss of these centers and the formation of centers containing hydrogen. The disappearance of the A centers in the temperature range of 100-150 degrees C is correlated with the appearance of three local vibrational modes (LVM's) at 943.5, 2126.4, and 2151.5 cm(-1). The isotopic shifts of these lines were obtained from measurements on the samples doped with hydrogen and deuterium. The lines are identified as related to stretching vibrational modes of a complex that consists of one oxygen and two hydrogen atoms sharing a vacancy site (V-O-H-2 complex). Ab initio calculations are used to explore the structures and properties of this defect. The origin of other LVM bands, which were observed upon annealing, is discussed.

Publication metadata

Author(s): Markevich VP, Murin LI, Suezawa M, Lindstrom JL, Coutinho J, Jones R, Briddon PR, Oberg S

Publication type: Article

Publication status: Published

Journal: Physical Review B

Year: 2000

Volume: 61

Issue: 19

Pages: 12964-12969

ISSN (print): 0163-1829

ISSN (electronic): 1095-3795

Publisher: The American Physical Society


DOI: 10.1103/PhysRevB.61.12964


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