First-principles analysis of a homochiral cycloidal magnetic structure in a monolayer Cr on W(110)

Zimmermann, Bernd; Heide, Marcus; Bihlmayer, Gustav; Blügel, Stefan

doi:10.1103/PhysRevB.90.115427

Journal Article

FZJ-2014-04972

First-principles analysis of a homochiral cycloidal magnetic structure in a monolayer Cr on W(110)

Zimmermann, B. (Corresponding Author)FZJ* ; Heide, M. ; Bihlmayer, G.FZJ* ; Blügel, S.FZJ*

2014
APS College Park, Md.

Physical review / B 90(11), 115427 (2014) [10.1103/PhysRevB.90.115427]

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Please use a persistent id in citations: http://hdl.handle.net/2128/9116 doi:10.1103/PhysRevB.90.115427

Abstract: The magnetic structure of a Cr monolayer on a W(110) substrate is investigated by means of first-principles calculations based on noncollinear spin density functional theory (DFT). As magnetic ground state we find a long-period homochiral left-rotating spin spiral on top of an atomic-scale antiferromagnetic order of nearest-neighbor atoms. The rotation angle of the magnetic moment changes inhomogeneously from atom to atom across the spiral. We predict a propagation direction along the crystallographic [001] direction with a period length of |λ|=14.3nm, which is in excellent agreement with a modulation of the local antiferromagnetic contrast observed in spin-polarized scanning tunneling microscope experiments by Santos et al. [New J. Phys. 10, 013005 (2008)]. We identify the Dzyaloshinskii-Moriya interaction as the origin of the homochiral magnetic structure, competing with the Heisenberg-type exchange interaction and magnetocrystalline anisotropy energy. From DFT calculations we extract parameters for a micromagnetic model and thereby determine a considerable inhomogeneity of the spin spiral, increasing the period length by 6% compared to homogeneous spin spirals. The results are compared to the behavior of a Mn and Fe monolayer and Fe double layer on a W(110) substrate.

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