Publication year: 2011 Source: Computational and Theoretical Chemistry, Available online 1 October 2011 Jaafar Jalilian, Hadi Zahrabi, Javad Jalilian, Fatemeh Soofivand, Sanaz Farshadfar, … The electronic and magnetic properties of the (6,6) BN nanotube bundle in the presence of theFe,CoandNiatomic chains have been studied by the first principles calculations in the framework of the density functional theory (DFT)
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Electronic and magnetic properties of Fe, Co and Ni atomic chains encapsulated in BN nanotube bundle