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

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 $|\ensuremath{\lambda}|=14.3\phantom{\rule{0.16em}{0ex}}\mathrm{nm}$, 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)]. 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.