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

Abstract

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
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 117; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
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

Citation Formats

Taivansaikhan, P., Rhim, S. H., E-mail: sonny@ulsan.ac.kr, E-mail: schong@ulsan.ac.kr, Hong, S. C., E-mail: sonny@ulsan.ac.kr, E-mail: schong@ulsan.ac.kr, and Odkhuu, D. Magnetocrystalline anisotropy of 4d/5d transition metals on a Co(0001) surface: A first-principles study. United States: N. p., 2015. Web. doi:10.1063/1.4917266.
Taivansaikhan, P., Rhim, S. H., E-mail: sonny@ulsan.ac.kr, E-mail: schong@ulsan.ac.kr, Hong, S. C., E-mail: sonny@ulsan.ac.kr, E-mail: schong@ulsan.ac.kr, & Odkhuu, D. Magnetocrystalline anisotropy of 4d/5d transition metals on a Co(0001) surface: A first-principles study. United States. doi:10.1063/1.4917266.
Taivansaikhan, P., Rhim, S. H., E-mail: sonny@ulsan.ac.kr, E-mail: schong@ulsan.ac.kr, Hong, S. C., E-mail: sonny@ulsan.ac.kr, E-mail: schong@ulsan.ac.kr, and Odkhuu, D. Thu . "Magnetocrystalline anisotropy of 4d/5d transition metals on a Co(0001) surface: A first-principles study". United States. doi:10.1063/1.4917266.
@article{osti_22403026,
title = {Magnetocrystalline anisotropy of 4d/5d transition metals on a Co(0001) surface: A first-principles study},
author = {Taivansaikhan, P. and Rhim, S. H., E-mail: sonny@ulsan.ac.kr, E-mail: schong@ulsan.ac.kr and Hong, S. C., E-mail: sonny@ulsan.ac.kr, E-mail: schong@ulsan.ac.kr and Odkhuu, D.},
abstractNote = {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.},
doi = {10.1063/1.4917266},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 17,
volume = 117,
place = {United States},
year = {2015},
month = {5}
}