EPR properties of Au atoms adsorbed on various sites of the MgO(1 0 0) surface from relativistic DFT calculations

Surface Science

Volumn 600, Issue 12, 2006, Pages 2434-2442

  Di Valentin, Cristiana ^a   Scagnelli, Andrea ^a   Pacchioni, Gianfranco ^a   Risse, Thomas ^b   Freund, Hans Joachim ^b  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

Au atom; DFT calculations; Electron paramagnetic resonance; g Tensor; Hyperfine coupling constants; MgO

Indexed keywords

ADSORPTION; ANISOTROPY; ELECTRON ENERGY LEVELS; GOLD; PARAMAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION;

AU ATOMS; DFT CALCULATIONS; G-TENSOR; HYPERFINE COUPLING CONSTANTS; MGO;

MAGNESIA;

EID: 33746803203     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2006.03.048     Document Type: Article

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