First-principles investigations of Co- and Fe-doped Sn O2

被引：0
|
作者：
Wang, X.L. [2 ]
Zeng, Z. [1 ]
Zheng, X.H. [2 ]
Lin, H.Q. [3 ,4 ]
机构：
[1] Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China
[2] Graduate School, Chinese Academy of Sciences, Chinese Academy of Sciences, Hefei 230031, China
[3] Department of Physics, Chinese University of Hong Kong, Shatin, Hong Kong
[4] Institute of Theoretical Physics, Chinese University of Hong Kong, Shatin, Hong Kong
来源：
Journal of Applied Physics | 2007年 / 101卷 / 09期
关键词：
We have investigated the electronic and magnetic properties of Co- and Fe-doped Sn O2 by first-principles methods. The obtained results show that the ferromagnetic order is energetically much favored relative to the antiferromagnetic order in all the considered models of Co- and Fe-doped Sn O2. The exchange interaction between Co ions is a long-range ferromagnetic interaction and gradually weakened as the distance between Co ions increases. For Fe-doped Sn O2; the exchange interaction is also a long-range ferromagnetic one; but it oscillates with the variation of the distances between Fe ions. In addition; we further probe the concentration effect on the magnetic properties in the doped systems. The obtained results show that the exchange interaction between Co and Fe ions is reduced; implying that the enhancement of Curie temperature is not favored by increasing Co- and Fe-doping concentrations. © 2007 American Institute of Physics;
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Conference article (CA)
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