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

Author

Listed:
  • 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)

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.

Suggested Citation

  • Wei Fan & Xin-Gao Gong, 2008. "A DENSITY-FUNCTIONAL-THEORY STUDY OF MAGNETIC ANISOTROPIES OF ONE-DIMENSIONALNiCHAINS AND MAGNETISM OF 3D TRANSITION METALS ONAu(110)-(1 × 2) SURFACE," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 15(05), pages 567-579.
    • Handle: RePEc:wsi:srlxxx:v:15:y:2008:i:05:n:s0218625x08011913
    DOI: 10.1142/S0218625X08011913
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