An ab initio study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surface
From MaRDI portal
Publication:546880
DOI10.1016/J.CPC.2010.08.031zbMATH Open1219.82235arXiv1102.3738OpenAlexW2046865861MaRDI QIDQ546880
Publication date: 30 June 2011
Published in: Computer Physics Communications (Search for Journal in Brave)
Abstract: 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 {it ab intio} study of the structural, electronic and magnetic properties of all 3 transition metal (TM) freestanding 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 3 TM chains, whilst significant orbital magnetic moments appear and also are direction-dependent. Finally, we find that the MAE for Fe, and Co remains large, i.e., being not much affected by the presence of Cu substrate.
Full work available at URL: https://arxiv.org/abs/1102.3738
Statistical mechanics of metals (82D35) Statistical mechanics of magnetic materials (82D40) Quantum waveguides, quantum wires (82D77)
This page was built for publication: An ab initio study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surface
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q546880)
