A DENSITY-FUNCTIONAL-THEORY STUDY OF MAGNETIC ANISOTROPIES OF ONE-DIMENSIONALNiCHAINS AND MAGNETISM OF 3D TRANSITION METALS ONAu(110)-(1 × 2) SURFACE

Wei Fan () and Xin-Gao Gong
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Wei Fan: Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, 230031-Hefei, People's Republic of China
Xin-Gao Gong: Department of Physics, Fudan University, 200433-Shanghai, People's Republic of China

Surface Review and Letters (SRL), 2008, vol. 15, issue 05, 567-579

Abstract: Based on the Density Functional Theory (DFT) with noncollinear-magnetism formulations, we have calculated the magnetism of single 3d transition-metal atoms and the magnetic anisotropies of supportedNichains on theAu(110)-(1 × 2)surface. Our results for single absorbed 3d transition-metal atoms show that the surface relaxations enhance the orbital moments of left-end elements(Ti, V)and quenches the orbital moments of right-end elements(Fe, Co, Ni)on theAu(110)-(1 × 2)surface. The magnetic anisotropies ofNiatomic chains on the surface are closely related to orbital quenching. The easy magnetized axes change from the direction parallel to the chains to the direction perpendicular to theNichains when they absorb on the surface.

Keywords: Magnetic anisotropy; one-dimensional magnetism; surface reconstruction; non-collinear density functional theory (search for similar items in EconPapers)
Date: 2008
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DOI: 10.1142/S0218625X08011913

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