Magnetism and electronic structure in ZnFe2O4 and MnFe2O4

被引:14
作者
Singh, DJ [1 ]
Gupta, M
Gupta, R
机构
[1] USN, Res Lab, Ctr Computat Mat Sci, Washington, DC 20375 USA
[2] Univ Paris 11, Inst Sci Mat, F-91405 Orsay, France
[3] CEA, Ctr Etud Saclay, F-91191 Gif Sur Yvette, France
关键词
D O I
10.1063/1.1453929
中图分类号
O59 [应用物理学];
学科分类号
摘要
Density functional calculations are used to study magnetic and electronic properties of the spinel ferrites, ZnFe2O4 and MnFe2O4. Correct magnetic orderings are obtained. ZnFe2O4 is predicted to be a small gap insulator in agreement with experiment. MnFe2O4 is found to be a low carrier density half metal in the fully ordered state. However, strong effects on the electronic structure are found upon partial interchange of Fe and Mn atoms. This indicates that the insulating character may be due to Anderson localization associated with the intersite Mn-Fe disorder. (C) 2002 American Institute of Physics.
引用
收藏
页码:7370 / 7372
页数:3
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