Abstract
Using density functional theory, we have investigated geometric structures and electronic properties for Eu atom-doped (5.0)boron nitrogen nanotubes (BNNTs) with Stone-Wales defects. It has been mainly found that (i) the exohedral-doped configurations are stable metal; (ii) the Eu atom transfers electrons to nanotubes, contributing to stability; and (iii) the localized 4f electrons of Eu atom enable nanotube to obtain high spin polarization and magnetic moment.
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