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Bonding at the α-Al2O3(001) / Pt(111) interface Molecular orbital theory

✍ Scribed by AlfredB. Anderson; Ch. Ravimohan; S.P. Mehandru


Publisher
Elsevier Science
Year
1987
Weight
48 KB
Volume
183
Category
Article
ISSN
0167-2584

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The local interfacial structure and bonding at the rhombohedral twin interface in α-Al 2 O 3 (corundum) was studied by means of first-principles electronic-structure calculations based on the local density functional theory. Two sets of geometrical interface models were selected, one with a terminat