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Local electronic structure and magnetic properties of 3d transition metal doped GaAs

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Abstract

The local electronic structure and magnetic properties of GaAs doped with 3d transition metal (Sc, Ti, V, Cr, Mn, Fe, Co, Ni) were studied by using discrete variational method (DVM) based on density functional theory. The calculated result indicated that the magnetic moment of transition metal increases first and then decreases, and reaches the maximum value when Mn is doped into GaAs. In the case of Mn concentration of 1.4%, the magnetic moment of Mn is in good agreement with the experimental result. The coupling between impure atoms in the system with two impure atoms was found to have obvious variation. For different transition metal, the coupling between the impure atom and the nearest neighbor As also has different variation.

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Authors and Affiliations

  1. Department of Chemistry, Institute of Applied Chemistry, Xinjiang University, Urumqi, 830046, China

    He Lin

  2. Department of Physics, Xinjiang University, Urumqi, 830046, China

    HaiMing Duan

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  1. He Lin
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  2. HaiMing Duan
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Correspondence to HaiMing Duan.

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Supported by the National Natural Science Foundation of China (Grant No. 10347010)

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Lin, H., Duan, H. Local electronic structure and magnetic properties of 3d transition metal doped GaAs. Sci. China Ser. G-Phys. Mech. As 51, 470–480 (2008). https://doi.org/10.1007/s11433-008-0056-z

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  • DOI: https://doi.org/10.1007/s11433-008-0056-z

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