Structure and energetics of kappa alumina (-Al2O3) calculated from first principles

University dissertation from Chalmers University of Technology

Author: Yashar Yourdshahyan; Chalmers Tekniska Högskola.; Chalmers University Of Technology.; [1996]

Keywords: TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; density-functional theory; plane-waves; pseudopotentials; local-density-approximation; ceramics materials; Al2O3 K-phase; electronic properties; stability; structure;

Abstract:

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