An ab initio study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surface

作者：Tung J C; Guo G Y^*

来源：Computer Physics Communications, 2011, 182(1): 84-86.

DOI：10.1016/j.cpc.2010.08.031

• Magnetocrystalline anisotropy
• Transition metal nanowires
• Spin-orbit coupling

Magnetism at the nanoscale has been a very active research area in the past decades because of its novel fundamental physics and exciting potential applications We have recently performed an ab initio study of the structural electronic and magnetic properties of all 3d transition metal (TM) free-standing atomic chains and found that Fe and Ni nanowires have a giant magnetic anisotropy energy (MAE) indicating that these nanowires would have applications in high density magnetic data storages In this paper we perform density functional calculations for the Fe Co and Ni linear atomic chains on Cu(001) surface within the generalized gradient approximation in order to investigate how the substrates would affect the magnetic properties of the nanowires We find that Fe Co and Ni linear chains on Cu(001) surface still have a stable or metastable ferromagnetic state When spin-orbit coupling (SOC) is included the spin magnetic moments remain almost unchanged due to the weakness of SOC in 3d TM chains whilst significant orbital magnetic moment

• 出版日期2011-1