Electronic and magnetic properties of metal-doped BN sheet: A first-principles study.
The electronic and magnetic properties of a BN sheet doped with 3d transition metals (Fe, Co and Ni) have been investigated using ab initio calculations. Our calculations show many interesting physical properties in a metal-doped BN sheet. A Fe-doped BN sheet is a half-metal with the magnetic moment of 2.0 micro(B), and Co-doped BN sheet becomes a narrow-gap semiconductor with a magnetic moment of 1.0 micro(B). However, no magnetic moment is induced on a Ni-doped BN sheet, which has the same band gap as a pristine BN sheet. Furthermore, Fe atom easily forms an isolated particle on the BN sheet, while Ni and Co atoms are likely to form a sheet-supported metal nanotemplate. These results are useful for spintronics application and could help in the development of magnetic nanotructures and metallic nanotemplate at room temperature.
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, PR China.
Y G
YG
Zhou
J
J
Xiao-Dong
Z G
ZG
Wang
H Y
HY
Xiao
F
F
Gao
X T
XT
Zu