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First principles study of Si(3 3 5)–Au surface

✍ Scribed by Mariusz Krawiec


Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
598 KB
Volume
254
Category
Article
ISSN
0169-4332

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The BiO and AlO 2 terminations have been constructed for the BiAlO 3 (0 0 1) surface. The cleavage and surface energies, surface relaxation and surface electronic structure have been calculated for the two types of (0 0 1) terminations using first principle plane waves ultrasoft pseudopotential meth