Surface electronic structure of Ti-based transition metal alloys

Article

关键词: PHASE-STABILITY;    OPTICAL-PROPERTIES;    MAGNETIC-STRUCTURE;    CRYSTAL-STRUCTURE;    B2;    NITI;    TRANSFORMATION;    NIAL(110);   

DOI  :  10.1103/PhysRevB.65.085410

来源: SCIE

【 摘 要 】

The electronic structure of the (001) and (110) surfaces for B2 Ti-based transition metal alloys were investigated using the full-potential linearized augmented plane-wave method in the local-density approximation. The evolution of the electronic structure of alloys at the different surfaces in comparison with the bulk ground states is analyzed. The ferromagnetic order is displayed in the case of Fe or Co top layer for the (001) surface. The surface magnetic moment of Fe and Co (2.27 mu(B) and 0.87 mu(B)) reduces drastically inside the film. The influence of a surface on the electron properties of alloys is discussed.

【 授权许可】

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