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

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 atomicscale antiferrom...

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Veröffentlicht in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2014-09, Vol.90 (11), Article 115427
Hauptverfasser: Zimmermann, Bernd, Heide, Marcus, Bihlmayer, Gustav, Blügel, Stefan
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Sprache:eng
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Zusammenfassung: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 atomicscale 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 |[lambda]| = 14.3 nm, 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) (http://dx.doi.org/10.1088/13672630/10/1/013005)]. 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.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.90.115427