First-principles study of the (0 0&
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Jie Cui; Wei Liu
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Article
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2010
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Elsevier Science
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English
โ 376 KB
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