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Title: Magnetocrystalline anisotropy of 4d/5d transition metals on a Co(0001) surface: A first-principles study

Magnetism and magnetocrystalline anisotropy (MCA) of 4d and 5d transition metal monolayers have been investigated in the presence of a Co(0001) substrate using first-principles electronic structure calculations. Magnetization of Co-group elements undergoes a transition from an in-plane to perpendicular MCA on Co(0001), whose energies (E{sub MCA}) are +0.75 meV/cell and +3.67 meV/cell for Rh/Co(0001) and Ir/Co(0001), respectively. On the other hand, the Fe-group Ru/Co(0001) and Os/Co(0001) exhibit the in-plane MCA with antiparallel spin moments to that of the Co substrate. From band analysis, enhancement of MCA in the Ir/Co(0001) is mainly due to the Ir atom by 〈m=0| l{sub x} |m=±1〉 matrix in the ↑↓-channel, where negative MCA found in Os/Co(0001) is due to Co with dominant contribution from 〈m=0| l{sub x} |m=±1〉 and 〈m=±2| l{sub x} |m=±1〉 matrices in the ↓↓- and ↑↓-channel, respectively. The significant enhancement of E{sub MCA} in Rh/ and Ir/ Co(0001) is ascribed to larger spin-orbit coupling of 4d and 5d orbitals, mainly by coupling between m = 0 and m = ±1 states.
Authors:
; ;  [1] ;  [2]
  1. Department of Physics and Energy Harvest Storage Research Center, University of Ulsan, Ulsan 680-749 (Korea, Republic of)
  2. Department of Physics, Incheon National University, Incheon 406-772 (Korea, Republic of)
Publication Date:
OSTI Identifier:
22403026
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ANISOTROPY; COBALT; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; L-S COUPLING; MAGNETISM; MAGNETIZATION; MATRICES; RUTHENIUM; SUBSTRATES; SURFACES