Effects of interfacial relaxation on the magnetic coupling of Mn/Fe(111)

Lieping Zhong, Ruqian Wu, Arthur J Freeman, G. B. Olson

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Abstract

The structural, electronic, and magnetic properties of monolayer Mn on an Fe(111) substrate are determined using the local spin density total energy full potential linearized augmented plane wave method and atomic force approach. A strong interplay between magnetism and atomic structure is found, e.g., the interfacial Fe layer undergoes a large downward relaxation by 0.59 a.u. from the ideal bcc position. As was found previously for bulk fcc Mn and Mn/Fe(001), the equilibrium Mn-Fe bond length is larger in the ferromagnetic state (4.47 a.u.) than that in the antiferromagnetic (AFM) state (4.31 a.u.). The AFM coupling between Mn and Fe is the ground state. The interplay between the interfacial magnetic coupling in the Mn/Fe(111) and the multilayer relaxation is discussed.

Original languageEnglish
Pages (from-to)4479-4481
Number of pages3
JournalJournal of Applied Physics
Volume81
Issue number8 PART 2A
Publication statusPublished - Apr 15 1997

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atomic structure
plane waves
magnetic properties
ground state
electronics
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physics and Astronomy (miscellaneous)

Cite this

Effects of interfacial relaxation on the magnetic coupling of Mn/Fe(111). / Zhong, Lieping; Wu, Ruqian; Freeman, Arthur J; Olson, G. B.

In: Journal of Applied Physics, Vol. 81, No. 8 PART 2A, 15.04.1997, p. 4479-4481.

Research output: Contribution to journalArticle

Zhong, L, Wu, R, Freeman, AJ & Olson, GB 1997, 'Effects of interfacial relaxation on the magnetic coupling of Mn/Fe(111)', Journal of Applied Physics, vol. 81, no. 8 PART 2A, pp. 4479-4481.
Zhong, Lieping ; Wu, Ruqian ; Freeman, Arthur J ; Olson, G. B. / Effects of interfacial relaxation on the magnetic coupling of Mn/Fe(111). In: Journal of Applied Physics. 1997 ; Vol. 81, No. 8 PART 2A. pp. 4479-4481.
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