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Volumn 89, Issue 7, 2002, Pages

Hybridization and Bond-Orbital Components in Site-Specific X-Ray Photoelectron Spectra of Rutile [Formula presented]

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EID: 85029165342     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.89.077401     Document Type: Article
Times cited : (8)

References (18)
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    • J.C. Woicik, E.J. Nelson, and P. Pianetta, Phys. Rev. Lett.10.1103/PhysRevLett.84.773 84, 773 (2000);
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    • S.C. Abrahams and J.L. Bernstein, J. Chem. Phys.JCPSA6 55, 3206 (1971).
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    • D.P. Woodruff, D.L. Seymour, C.F. McConville, C.E. Riley, M.D. Crapper, N.P. Prince, and R.G. Jones, Surf. Sci. 195, 237 (1988);
    • (1988) Surf. Sci. , vol.195 , pp. 237
  • 15
    • 0003139802 scopus 로고    scopus 로고
    • As the Ti (Formula presented) orbitals are unoccupied in the free Ti atom, the Ti (Formula presented) atomic cross section is not tabulated; consequently, we took it to be equal to the Ti (Formula presented) one. Additionally, the calculations have been performed for filled atomic subshells; therefore, in order to obtain the cross sections on a per-electron basis, they must be normalized by the orbital degeneracy which is equal to (Formula presented)
    • M.B. Trzhaskovskaya, V.I. Nefedov, and V.G. Yarzhemsky, At. Data Nucl. Data Tables10.1006/adnd.2000.0849 77, 97 (2001). As the Ti (Formula presented) orbitals are unoccupied in the free Ti atom, the Ti (Formula presented) atomic cross section is not tabulated; consequently, we took it to be equal to the Ti (Formula presented) one. Additionally, the calculations have been performed for filled atomic subshells; therefore, in order to obtain the cross sections on a per-electron basis, they must be normalized by the orbital degeneracy which is equal to (Formula presented).
    • (2001) At. Data Nucl. Data Tables , vol.77 , pp. 97
  • 16
    • 0004183769 scopus 로고
    • The ligand (Formula presented) axis is directed towards the metal ion
    • C.J. Ballhausen and H.B. Gray, Molecular Orbital Theory (Benjamin, New York, 1964), Chaps.�4 and 8. The ligand (Formula presented) axis is directed towards the metal ion.
    • (1964) Molecular Orbital Theory
  • 17
    • 0001525733 scopus 로고
    • L.A. Grunes, R.D. Leapman, C.N. Wilker, R. Hoffmann, and A.B. Kunz, Phys. Rev. B10.1103/PhysRevB.25.7157 25, 7157 (1982).
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    • Hoffmann, R.1    Kunz, A.B.2


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