Surface trapped hole centers have been generated by X-ray irradiation on an O-17 isotope enriched MgO sample. The resulting EPR spectrum allowed us to determine for the first time the complete O-17(-) hyperfine tensor (A = [18.6, 18.6, -104.8] G). Comparison of the measured data with those obtained by embedded cluster density functional theory calculations allows to identify the hole trapping center with three-coordinated oxide anions localized at MgO corners.

The 17O hyperfine structure of trapped holes photogenerated at the surface of polycrystallineMgO

CHIESA, Mario;GIAMELLO, Elio;
2005-01-01

Abstract

Surface trapped hole centers have been generated by X-ray irradiation on an O-17 isotope enriched MgO sample. The resulting EPR spectrum allowed us to determine for the first time the complete O-17(-) hyperfine tensor (A = [18.6, 18.6, -104.8] G). Comparison of the measured data with those obtained by embedded cluster density functional theory calculations allows to identify the hole trapping center with three-coordinated oxide anions localized at MgO corners.
2005
403
124
128
MOLECULAR-ORBITAL METHODS; MAGNESIUM-OXIDE; ENERGY-TRANSFER; ELECTRON; DENSITY; CHEMISORPTION; IONS; EPR
M. CHIESA; E. GIAMELLO; C. DI VALENTIN; G. PACCHIONI
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/42580
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