skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Atomic and Electronic Structure and Chemistry of Ceramic/Metal Interfaces. Final Report

Abstract

Materials containing ceramic and metal phases play a significant role in modern materials technology.

Authors:
Publication Date:
Research Org.:
Northwestern University, Evanston, IL
Sponsoring Org.:
USDOE - Office of Energy Research (ER)
OSTI Identifier:
896097
Report Number(s):
DOE/ER/45597
TRN: US200721%%23
DOE Contract Number:
FG02-96ER45597
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; METALS; CERAMICS; INTERFACES; SURFACE PROPERTIES; ELECTRONIC STRUCTURE

Citation Formats

Seidman, D. N. Atomic and Electronic Structure and Chemistry of Ceramic/Metal Interfaces. Final Report. United States: N. p., 2006. Web. doi:10.2172/896097.
Seidman, D. N. Atomic and Electronic Structure and Chemistry of Ceramic/Metal Interfaces. Final Report. United States. doi:10.2172/896097.
Seidman, D. N. Fri . "Atomic and Electronic Structure and Chemistry of Ceramic/Metal Interfaces. Final Report". United States. doi:10.2172/896097. https://www.osti.gov/servlets/purl/896097.
@article{osti_896097,
title = {Atomic and Electronic Structure and Chemistry of Ceramic/Metal Interfaces. Final Report},
author = {Seidman, D. N.},
abstractNote = {Materials containing ceramic and metal phases play a significant role in modern materials technology.},
doi = {10.2172/896097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 07 00:00:00 EDT 2006},
month = {Fri Jul 07 00:00:00 EDT 2006}
}

Technical Report:

Save / Share:
  • Studies have been conducted on interfaces between Al2O3, and three different metals; Nb, Pd and Ni. The objectives have been to establish orientation relationships and to understand the atomistic structure along the interface. In the case of Ni, the formation of a spinel reaction product has also been explored. For Nb/Al2O3, it has been found that the orientation relationships and the atomic arrangements depend on the temperature at which the interface was formed. Those formed at high temperature by diffusion bonding have (110) planes in the Nb parallel to the interface. There are also misfit dislocations which 'stand-off' the interface.more » Conversely, interfaces formed at lower temperatures by molecular beam epitaxy have (111) planes in the Nb parallel to the interface. Moreover, the misfit dislocations are located at the interface itself. The differences are attributed to diffusional effects, such as dislocation climb, that can occur at the higher temperatures.« less
  • Objectives were to study theory of structure of the metal/ceramic interface (heterophase ceramic interfaces), ferroelectronic materials and their epitaxially grown oxide thin films (superlattice structure), perovskites, antiferroelectric and electro-optic materials, etc.
  • New efforts have been directed toward understanding the electronic structure and properties of the metal/ceramic interface. The authors studied the structure and electronic structure properties of the Ag/CdO (100) interface employing the total energy FLAPW thin film method. In addition, the structural, electronic, and magnetic properties of the metal-ceramic interfaces between palladium, rhodium, or ruthenium and magnesium oxide were investigated by the FLAPW method.
  • Among the tremendous variety of oxide materials currently used for technological applications, those based on titanium and vanadium oxides are not only among the most important, but are also the most intriguing. Relatively small changes in crystallographic modifications and valencies of metal atoms, as the wide class of Magnelli phases and related compounds, may result in abrupt metal-insulator transitions and sharp changes of magnetic ordering with critical temperatures that may vary in the hundreds of degrees range. When doped by other transition, or s and p metals, these oxides exhibit a vast variety of complicated cooperative phenomena,starting from unusual ferroelectricitymore » up to superconductivity at moderately high temperatures. Most of these unusual materials have been extensively studied and used in the bulk or polycrystalline thin film form. For the fabrication of novel devices of micron or submicron sizes, however, single crystal films and superlattices are preferred or required. Moreover, one may expect that such man-made'' artificial structures will reveal new and unusual physical properties. These are the reasons for the Renaissance in experimental and theoretical investigations of these oxides that is now occurring.« less
  • The current work has provided insight into the energetics and nature of bonding, the bonding mechanism, and structure of the interface for metal and ceramic materials. Results are reported for: (i) the metal (Ag, Fe and Co)/MgO interface; (ii) the metal (Pd)/Al{sub 2}O{sub 3} interface - including a first study of the noble metal oxides, PdO, AgO and PtO; and (iii) ferroelectric ceramic materials. The precise full-potential linearized augmented plane wave method was used to study the structural properties and electronic structure of bulk MgO, the clean MgO(001) surface, a free standing Ag monolayer, and an Ag monolayer adsorbed onmore » the Mg(001) surface with Ag atoms located either above the O, the Mg or the hollow site. Plans for future research are mentioned. 17 refs., 3 figs., 1 tab.« less