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Volumn 66, Issue 8, 2002, Pages 854171-854179

Microscopic mechanisms of stabilization of polar oxide surfaces: Transition metals on the MgO(111) surface

Author keywords

[No Author keywords available]

Indexed keywords

MAGNESIUM OXIDE; METAL;

EID: 0037104427     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.085417     Document Type: Article
Times cited : (78)

References (44)
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    • Cornell, Ithaca
    • L. Pauling, The Nature of the Chemical Bond, 3rd ed. (Cornell, Ithaca, 1960). Actually, as discussed by one of the authors, the Mulliken's definition of electronegativity would be more appropriate, since it is the opposite of the energy of the first empty or last filled state [F. Finocchi and C. Noguera, in Acid Base Interactions, edited by K. L. Mittal (VSP, Utrecht, 2000), Vol. 2, p. 187].
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    • edited by K. L. Mittal (VSP, Utrecht)
    • L. Pauling, The Nature of the Chemical Bond, 3rd ed. (Cornell, Ithaca, 1960). Actually, as discussed by one of the authors, the Mulliken's definition of electronegativity would be more appropriate, since it is the opposite of the energy of the first empty or last filled state [F. Finocchi and C. Noguera, in Acid Base Interactions, edited by K. L. Mittal (VSP, Utrecht, 2000), Vol. 2, p. 187].
    • (2000) Acid Base Interactions , vol.2 , pp. 187
    • Finocchi, F.1    Noguera, C.2
  • 44
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    • note
    • Taking the Pd monolayer adsorbed on the oxygen termination as a reference, the adhesion energy calculated within FP-LAPW (FP-LMTO) approach increases by 0.4 (0.1), 1.1 (1.3), 2.1 (2.4), and 2.7 (3.0) eV along the series Cu, Ru, Mo, and Zr. FP-LMTO reproduces also correctly the fine features, as e.g. the inversed stability of oxygen and magnesium (111) terminations covered with Pd and Cu monolayers.


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