An ab initio study of α-Al2O3(0001): the effects of exchange and correlation functionals
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics
Reference27 articles.
1. International Workshop on the Science of Alumina
2. Hartree-fock ab-initio characterization of ionic crystal surfaces with a slab model. The (0001) face of α-Al2O3
3. Ab initio characterization of the (0001) and (101̄0) crystal faces of α-alumina
4. Structure of the (0001) surface of α-Al2O3 from first principles calculations
5. Structure and Energetics of Alumina Surfaces Calculated from First Principles
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