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The variations of crystal structure, magnetization, and conductivity resulting from the chemical pressure effects of substituting Sr2+ by the smaller Ca2+ in the double-perovskite (Sr2-xCax)FeMoO6 have been investigated. An increase in the Ca content leads to an increase in the Fe/Mo ordering in the materials, which raises the magnetic moments close to the theoretical value of 4 μB. An increase in conductivity with increasing Ca content is also found and is consistent with an increase in (Fe2+ + Mo6+)/(Fe3+ + Mo5+) band overlap rather than bandwidth changes. The changes observed by physical measurements are supported by the X-ray absorption near-edge structures of Fe and Mo and by band structure calculations.

chemistry of materials

Chemical Tuning of Structure, Magnetization, and Conductivity in the Self-doped Double-Perovskite (Sr2-xCax)FeMoO6 (0 ≤ x ≤ 2.0) System