The theory of metal - ceramic interfaces
- 5 August 1996
- journal article
- review article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 8 (32), 5811-5836
- https://doi.org/10.1088/0953-8984/8/32/003
Abstract
The theory of metal - ceramic interfaces is a collection of approaches which are complementary. They range from thermodynamic modelling based on empirical correlations, through the image model of adhesion, semi-empirical tight-binding calculations, to first-principles calculations based on applying the density functional theory or Hartree - Fock theory. This article reviews the present state of theoretical calculations, with particular reference to electronic structure and adhesion. A section on the thermodynamic background clarifies the concept of work of adhesion which is the goal of many calculations. Cluster models and periodic slabs have been considered, both self-consistent and non-self-consistent. The most sophisticated and complete calculations have been made for metals on MgO and alumina. There a consistent picture of the nature of the bonding has emerged, although there are still significant unexplained discrepancies in numerical values.Keywords
This publication has 68 references indexed in Scilit:
- Chemistry and Structure of CdO/Ag{222} Heterophase InterfacesPhysical Review Letters, 1995
- Structural characterization of a model catalyst: Pt/Al2O3/NiAl(110)Surface Science, 1995
- Ultrathin metal film growth on TiO2(110): an overviewSurface Science, 1995
- Electronic structure of ultrathin Fe films on(110) studied with soft-x-ray photoelectron spectroscopy and resonant photoemissionPhysical Review B, 1994
- Investigations of the chemistry and bonding at niobiumsapphire interfacesJournal of Materials Research, 1994
- Metal-ceramic adhesion: band structure calculations on transition-metal-AlN interfacesSurface Science, 1994
- First‐Principles Calculation of Electronic, Optical, and Structural Properties of α‐Al2O3Journal of the American Ceramic Society, 1994
- Wettability and interfacial bonding in AuSi/SiC systemActa Metallurgica et Materialia, 1993
- Metal-ceramic adhesion: quantum mechanical modeling of transition metal-alumina interfacesThe Journal of Physical Chemistry, 1993
- Dopant Effect of Yttrium and the Growth and Adherence of Alumina on Nickel‐Aluminum AlloysJournal of the Electrochemical Society, 1985