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Structural, electronic and magnetic properties of the 3d transition-metal-doped AlN nanotubes

โœ Scribed by Jian-Min Zhang; Huan-Huan Li; Yan Zhang; Ke-Wei Xu


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
502 KB
Volume
43
Category
Article
ISSN
1386-9477

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The structural and electronic properties of three isostructural transition metal nitrides VN, NbN and TaN have been calculated using the full-potential linearized augmented plane-wave method within a generalized gradient approximation scheme for the exchange-correlation potential. Perfect NaCl struc