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The structural, electronic and magnetic properties of the 3d TM (V, Cr, Mn, Fe, Co, Ni and Cu) doped ZnO nanotubes: A first-principles study

โœ Scribed by JianMin Zhang; Dan Gao; KeWei Xu


Book ID
118814464
Publisher
Science in China Press (SCP)
Year
2012
Tongue
English
Weight
876 KB
Volume
55
Category
Article
ISSN
1672-1799

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We study the electronic structure and ferromagnetism of V-, Cr-, and Mn-doped single-wall BN(5, 5) nanotube by using polarized spin calculations within first principles. The optimized structures show that the transition-metal atoms move outwards and the calculated electronic properties demonstrate t