Predicted c(2×2) buckling reconstruction of monolayer Mn on Fe(001) and its importance to the interfacial magnetic ordering

Ruqian Wu, Arthur J Freeman

Research output: Contribution to journalArticle

76 Citations (Scopus)

Abstract

The structural, electronic, and magnetic properties of a Mn monolayer on Fe(001) have been investigated using total energy and atomic forces calculated with the local density full potential linearized augmented plane wave method. A strong interplay between magnetism and atomic structure was observed. The antiparallel alignment in the Mn plane of the large (3.1μB) magnetic moment is found to drive a c(2×2) buckling reconstruction in the Mn overlayer. Due to hybridization with the magnetic Fe(001) substrate, the valence bands of the two different Mn atoms differ substantially; however, the net magnetic circular dichroism signal for the Mn overlayer is predicted to be almost zero.

Original languageEnglish
Pages (from-to)17131-17134
Number of pages4
JournalPhysical Review B
Volume51
Issue number23
DOIs
Publication statusPublished - 1995

Fingerprint

Dichroism
Magnetism
buckling
Valence bands
Magnetic moments
Electronic properties
Buckling
Structural properties
Monolayers
Magnetization
Magnetic properties
Atoms
Substrates
atomic structure
dichroism
plane waves
magnetic moments
alignment
magnetic properties
valence

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Predicted c(2×2) buckling reconstruction of monolayer Mn on Fe(001) and its importance to the interfacial magnetic ordering. / Wu, Ruqian; Freeman, Arthur J.

In: Physical Review B, Vol. 51, No. 23, 1995, p. 17131-17134.

Research output: Contribution to journalArticle

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