First principles calculation of spin-interactions and magnetic ground states of Cr trimers on Au(111)

Abstract

We present calculations of the magnetic ground states of Cr trimers in different geometries on top of a Au(111) surface. By using a least square fit method based on a fully relativistic embedded-cluster Green's function method first we determined the parameters of a classical vector-spin model consisting of second and fourth order interactions. The newly developed method requires no symmetry constraints, therefore, it is throughout applicable for small nanoparticles of arbitrary geometry. The magnetic ground states were then found by solving the Landau-Lifshitz-Gilbert equations. In all considered cases the configurational energy of the Cr trimers is dominated by large antiferromagnetic nearest neighbor interactions, whilst biquadratic spin-interactions have the second largest contributions to the energy. We find that an equilateral Cr trimer exhibits a frustrated 120${}^{\circ }$ Néel type of ground state with a small out-of-plane component of the magnetization and we show that the Dzyaloshinsky-Moriya interactions determine the chirality of the magnetic ground state. In cases of a linear chain and an isosceles trimer collinear antiferromagnetic ground states are obtained with a magnetization lying parallel to the surface.

18 pages, 7 figures

References in corpus (9)

• Exchange interaction between single magnetic adatoms
• Fully relativistic calculation of magnetic properties of Fe, Co and Ni adclusters on Ag(100)
• Kondo screening in a magnetically frustrated nanostructure: Exact results on a stable, non-Fermi-liquid phase
• Magnetic structure of Fe, Mn, and Cr clusters supported on Cu(111)
• Ab-initio spin dynamics applied to nanoparticles: canted magnetism of a finite Co chain along a Pt(111) surface step edge
• Correlated adatom trimer on metal surface: A continuous time quantum Monte Carlo study
• Exotic Kondo effect from magnetic trimers
• The effective Kondo model for a trimer on a metallic surface
• Ab initio study of canted magnetism of finite atomic chains at surfaces

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