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Summary: c Copyright by Donald Jason Siegel, 2001
FIRST-PRINCIPLES STUDY OF METALCERAMIC INTERFACES
BY
DONALD JASON SIEGEL
B.S., Case Western Reserve University, 1995
THESIS
Submitted in partial fulfillment of the requirements
for the degree of Doctor of Philosophy in Physics
in the Graduate College of the
University of Illinois at Urbana-Champaign, 2001
Urbana, Illinois
FIRST-PRINCIPLES STUDY OF METALCERAMIC INTERFACES
Donald Jason Siegel, Ph.D.
Department of Physics
University of Illinois at Urbana-Champaign, 2001
James B. Adams, Advisor
Despite their use in a variety of applications, the fundamental properties of metalceramic interfaces are
still poorly understood. Historically, this has been due to experimental complications associated with the
study of a buried interface, and to theoretical difficulties caused by complex interfacial bonding interactions.
However, the advent of first-principles techniques based on Density Functional Theory (DFT) has led to new
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