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Exploring the electronic and magnetic properties of zigzag and armchair BC2N nanotubes: a DFT study

✍ Scribed by Ghafouri, Reza; Anafcheh, Maryam; Naderi, Fereshteh


Book ID
120467097
Publisher
Springer
Year
2013
Tongue
English
Weight
423 KB
Volume
25
Category
Article
ISSN
1040-0400

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All-electron calculations were performed for Ni , Ni , and Ni clusters 2 3 4 and their respective anions and cations using density functional theory techniques as implemented in the DGauss code. Both local and generalized gradient-corrected functionals were employed. Three different multiplicities w