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Structure and Energetics of Alumina Surfaces Calculated from First Principles

✍ Scribed by Ioannis Manassidis; Michael J. Gillan


Book ID
110826765
Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
518 KB
Volume
77
Category
Article
ISSN
0002-7820

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## Abstract The electronic and magnetic properties of SrFeO~2~ with different magnetic configurations have been calculated via the plane‐wave pseudopotential density functional theory method, using the experimental lattice parameters. The results give an antiferromagnetic ground state for SrFeO~2~