The electronic structure and ferromagnet
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K.H. He; G. Zheng; G. Chen; M. Wan; G.F. Ji
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Article
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2008
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Elsevier Science
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English
โ 388 KB
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