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We have investigated the electronic structure of ordered and disorderedSr$_2$FeMoO$_6$ using {\it ab-initio} band structure methods. The effect ofdisorder was simulated within super-cell calculations to realize severalconfigurations with mis-site disorders. It is found that such disorder effectsdestroy the half-metallic ferro-magnetic state of the ordered compound. It alsoleads to a substantial reduction of the magnetic moments at the Fe sites in thedisordered configurations. Most interestingly, it is found for the disorderedconfigurations, that the magnetic coupling within the Fe sub-lattice as well asthat within the Mo sub-lattice always remain ferro-magnetic, while the twosub-lattices couple anti-ferromagnetically, in close analogy to the magneticstructure of the ordered compound, but in contrast to recent suggestions.Comment: 7 pages, 3 figure

physical review. b, condensed matter

<i>Ab initio</i>study of disorder effects on the electronic and magnetic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Sr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">FeMoO</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Ab initiostudy of disorder effects on the electronic and magnetic structure ofSr2FeMoO6