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

Journal Article · Thu May 07 04:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4917266· OSTI ID:22403026

Taivansaikhan, P.; Odkhuu, D. ^[1]

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1. Department of Physics, Incheon National University, Incheon 406-772 (Korea, Republic of)

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.

• OSTI ID: 22403026
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 17 Vol. 117; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ANISOTROPY
COBALT
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
L-S COUPLING
MAGNETISM
MAGNETIZATION
MATRICES
RUTHENIUM
SUBSTRATES
SURFACES