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First-principles study of the perfect and vacancy defect AlN nanoribbon

✍ Scribed by Fang-Ling Zheng; Jian-Min Zhang; Yan Zhang; Vincent Ji


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
872 KB
Volume
405
Category
Article
ISSN
0921-4526

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First-principles study of vacancy format
✍ Xu Zhang; Chong-Yu Wang πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 387 KB

Using density functional theory calculations in conjunction with the climbing images nudged elastic band method, we studied the vacancy formation and migration in clean and Re-doped Ni 3 Al. Both the chemical potential of the species and the magnetic effect are considered to determine the vacancy fo