Structure and bonding at metal-ceramic interfaces: Ag/CdO(001)

Fangyi Rao, Ruqian Wu, Arthur J Freeman

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Electronic-structure total-energy investigations of the metal-ceramic interface system Ag/CdO(001) show that the preferred adsorption site for Ag is above the O site of the clean CdO(001) surface. The calculated equilibrium interlayer separation between the Ag overlayer and the CdO interface layer is 4.32 a.u. and the binding energy is 0.63 eV/atom. The charge transfer between Ag and the CdO substrate is small (0.02 electrons/atom) and the range of the interface effect on the CdO(001) surface is limited to the interface layer. The interfacial hybridization between the Ag and the O atoms makes a significant contribution to the binding of the Ag/CdO(001) interface.

Original languageEnglish
Pages (from-to)10052-10056
Number of pages5
JournalPhysical Review B
Volume51
Issue number15
DOIs
Publication statusPublished - 1995

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Cermets
ceramics
Atoms
metals
Binding energy
Electronic structure
Charge transfer
atoms
Adsorption
Electrons
Substrates
interlayers
binding energy
charge transfer
electronic structure
adsorption
electrons
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Structure and bonding at metal-ceramic interfaces : Ag/CdO(001). / Rao, Fangyi; Wu, Ruqian; Freeman, Arthur J.

In: Physical Review B, Vol. 51, No. 15, 1995, p. 10052-10056.

Research output: Contribution to journalArticle

Rao, Fangyi ; Wu, Ruqian ; Freeman, Arthur J. / Structure and bonding at metal-ceramic interfaces : Ag/CdO(001). In: Physical Review B. 1995 ; Vol. 51, No. 15. pp. 10052-10056.
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