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題名 An ab initio study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surface
作者 郭光宇
Tung, J.C. ; Guo, Guang-Yu
貢獻者 應物所
關鍵詞 Magnetocrystalline anisotropy;Transition metal nanowires;Spin–orbit coupling
日期 2011.01
上傳時間 24-Jan-2014 12:36:25 (UTC+8)
摘要 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 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.
關聯 Computer Physics Communications, 182(1), 84-86
資料類型 article
DOI http://dx.doi.org/10.1016/j.cpc.2010.08.031
dc.contributor 應物所en_US
dc.creator (作者) 郭光宇zh_TW
dc.creator (作者) Tung, J.C. ; Guo, Guang-Yuen_US
dc.date (日期) 2011.01en_US
dc.date.accessioned 24-Jan-2014 12:36:25 (UTC+8)-
dc.date.available 24-Jan-2014 12:36:25 (UTC+8)-
dc.date.issued (上傳時間) 24-Jan-2014 12:36:25 (UTC+8)-
dc.identifier.uri (URI) http://nccur.lib.nccu.edu.tw/handle/140.119/63534-
dc.description.abstract (摘要) 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 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.en_US
dc.format.extent 255053 bytes-
dc.format.mimetype application/pdf-
dc.language.iso en_US-
dc.relation (關聯) Computer Physics Communications, 182(1), 84-86en_US
dc.subject (關鍵詞) Magnetocrystalline anisotropy;Transition metal nanowires;Spin–orbit couplingen_US
dc.title (題名) An ab initio study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surfaceen_US
dc.type (資料類型) articleen
dc.identifier.doi (DOI) 10.1016/j.cpc.2010.08.031-
dc.doi.uri (DOI) http://dx.doi.org/10.1016/j.cpc.2010.08.031-