Paper Title:
First-Principles Study of Ceramic Interfaces: Structures and Electronic and Mechanical Properties
  Abstract

First-principles calculations based on density-functional theory are powerful tools to investigate the structure and properties of ceramic interfaces. The Schottky-barrier heights of SiC/metal and Al2O3/metal interfaces have been examined, and significant effects of the interface stoichiometry (termination species) and metallic species have been found. Ab initio tensile tests have been applied to Al2O3/Cu and Al2O3/Ni interfaces, where the strength and features of failure also greatly depend on the interface stoichiometry and metallic species.

  Info
Periodical
Edited by
Katsutoshi Komeya, Yi-Bing Cheng, Junichi Tatami and Mamoru Mitomo
Pages
205-206
DOI
10.4028/www.scientific.net/KEM.403.205
Citation
M. Kohyama, S. Tanaka, "First-Principles Study of Ceramic Interfaces: Structures and Electronic and Mechanical Properties", Key Engineering Materials, Vol. 403, pp. 205-206, 2009
Online since
December 2008
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Price
$32.00
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