Electronic and magnetic properties of Fe, Co and Ni atomic chains encapsulated in BN nanotube bundle

Article ID	Journal	Published Year	Pages	File Type
5394947	Computational and Theoretical Chemistry	2012	7 Pages	PDF

Abstract

âº The TM atomic chains@(6,6) BN nanotube bundle have ferromagnetic property with high spin polarization. âº The spin polarization depend on the position of TM atomic chain and the type of TM atom. âº The total magnetic moments are decreased after forming a hybrid TM@BNNT bundle.

Keywords

BN nanotube Magnetic properties transition metal Spin polarization Density functional theory

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Electronic and magnetic properties of Fe, Co and Ni atomic chains encapsulated in BN nanotube bundle

Authors

Jaafar Jalilian, Hadi Zahrabi, Javad Jalilian, Fatemeh Soofivand, Sanaz Farshadfar, Sahar Naderizadeh, Neda Rahimi,