Manifestation of the paramagnetic splitting of physisorbed O2 in core and valence spectroscopies

Surface Science

Volumn 352-354, Issue , 1996, Pages 511-517

  Karis, Olof ^a   Hernnäs, Bo ^a   Puglia, Carla ^a   Nilsson, Anders ^a   Mårtensson, Nils ^a   Edvardsson, David ^a   Lunell, Sten ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

Ab initio quantum chemical methods and calculations; Carbon; Near edge extended X ray absorption fine structure (NEXAFS); Oxygen; Platinum; Silver; Single crystal surfaces; X ray photoelectron spectroscopy

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; OXYGEN; PARAMAGNETISM; PLATINUM; RESONANCE; SINGLE CRYSTALS; SORPTION; SUBSTRATES; SURFACE STRUCTURE; ULTRAVIOLET SPECTROSCOPY; X RAY PHOTOELECTRON SPECTROSCOPY;

AB INITIO QUANTUM CHEMICAL METHODS; CORE SPECTROSCOPY; DOUBLE STRUCTURE; NEAR EDGE EXTENDED X RAY ABSORPTION FINE STRUCTURE; PARAMAGNETIC SPLITTING; PHYSISORBED OXIDE; SINGLE CRYSTAL SURFACES; ULTRAVIOLET PHOTOELECTRON SPECTROSCOPY; VALENCE SPECTROSCOPY;

OXIDES;

EID: 0030145079     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(95)01191-9     Document Type: Article

References (30)

1. A. Nilsson, R.E. Palmer, H. Tillborg, R.J. Guest, B. Hernnäs et al., Phys. Rev. Lett. 68 (1992) 982.
2. W. Eberhardt and E.W. Plummer, Phys. Rev. Lett. 47 (1981) 1476.
3. R. Guest, A. Nilsson, O. Björneholm, A. Sandell, B. Hernnäs, R.E. Palmer and N. Mårtensson, Surf. Sci. 269 (1992) 432.
4. R. Guest, B. Hernnäs, P. Bennich et al., Surf. Sci. 278 (1992) 239.
5. C. Puglia, A. Nilsson, B. Hernnäs, O. Karis, P. Bennich and N. Mårtensson, Surf. Sci. 342 (1995) 119.
6. A. Nilsson and N. Mårtensson, Phys. Rev. B 40 (1989) 10249.
7. J.N. Andersen, O. Björneholm et al., Synch. Rad. News 4 (1991) 15.
8. E.R. Davidson et al., Program MELDFX, Quantum Chemistry Group, Indiana University, Bloomington, IN, USA.
9. F. van Duijneveldt, Technical Report No. RJ 945, IBM, unpublished.
10. N. Kosugi, E. Shigemasa and A. Yagishita, Chem. Phys. Lett. (1992) 190, and 481.
11. W. Butscher, R.J. Buenker and S.D. Peyerimhoff, Chem. Phys. Lett. 52 (1977) 449.
12. The change in the linewidth would indicate that the equilibrium geometry for the core excited state correspond to a shorter substrate-adsorbate bond than in the neutral ground state. The broadening also has contributions from intramolecular vibrations, but the potential energy surface, considering internal degrees of freedom only, should not be very different for the systems under consideration. This implies that the broadening from internal vibrations should be approximately the same.
13. x,y-systems in the adsorbed oxygen layer.
14. The gas phase spectrum is used by kind permission of Dr. Svante Svensson et al. prior to publication.
15. P. Baltzer, B. Wannberg, L. Karlsson and M. Carlsson Göte, Phys. Rev. A 45 (1992) 4374.
16. M. Domke, T. Mandel, A. Paschmann et al., Rev. Sci. Instrum., submitted.
17. W. Wurth, J. Stöhr, X. Pan, K.R. Bauchspiess et al., Phys. Rev. Lett. 65 (1990) 2426.
18. M. Neeb, J.-E. Rubensson, W. Eberhardt and M. Biermann, Phys. Rev. Lett. 71 (1993) 3091.
19. A. Yagishita, E. Shigemasa and N. Kosugi, Phys. Rev. Lett. 72 (1994) 3961.
20. Y. Ma, C.T. Chen, C. Meigs, K. Randall and F. Sette, Phys. Rev. A 44 (1991) 1848.
21. A.P. Hitchcock and C.R. Brion, J. Electron Spectrosc. 18 (1980) 1.
22. D. Menzel, Appl. Phys. A 51 (1990) 163.
23. O. Björneholm, A. Nilsson, E. Zdansky, A. Sandell and H. Tillborg, Phys. Rev. B 47 (1993) 2308.
24. E. Boursey and J.-Y. Roncin, Phys. Rev. Lett. 26 (1971) 308.
25. P. Kuiper and B.I. Dunlap, J. Chem. Phys. 100 (1994) 4087.
26. +. The last configuration is not possible to excite via dipole transitions. These selection rules are strictly speaking only valid in the gas phase.
27. R.J. Guest, PhD Thesis, University of Cambridge, Clare Collage, 1993.
28. E.T. Jensen, R.E. Palmer and P.J. Rous, Phys. Rev. Lett. 64 (1990) 1301.
29. E.T. Jensen, R.E. Palmer and P.J. Rous, Chem. Phys. Lett. 169 (1990) 204.
30. D. Nordfors, H. Ågren and K.V. Mikkelsen, Chem. Phys. 164 (1992) 173.