Stable geometries and magnetic properties of single-walled carbon nanotubes doped with 3d transition metals: A first-principles study
作者： Yosuke Yagi , Tina M. Briere , Marcel H. F. Sluiter , Vijay Kumar , Amir A. Farajian
DOI: 10.1103/PHYSREVB.69.075414
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摘要: … The most stable configuration was found to be a hole site outside of the nanotube (Fig. 1) … In the present study, we have performed first-principles calculations to clarify the interaction of …
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