Electronic structures and magnetic properties in Sr1-xLaxRuO3(0.0⩽x⩽0.5)

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Abstract
In order to find out more about the suppression of ferromagnetic (FM) interactions in Sr1-xLaxRuO3, electronic structures and magnetic properties have been investigated upon changing x from 0.0 to 0.5, using an XRD method with Rietveld analysis, a SQUID magnetometer and a DV-Xα computational method. In comparison with magnetic properties in Sr1-xCaxRuO3, FM interactions in Sr1-xLaxRuO3 are found to be suppressed very rapidly against x. Neither structural distortion nor cation-size disorder can account for such rapid suppression. Instead, this may be attributed to the effect of La-O hybridization created by La substitution for Sr. This hybridization effect weakens the FM order around Ru ions and, as a result, the long-range FM states are suppressed even if x is small. The DV-Xα cluster method was employed to estimate the energy difference between the up and down spin density of states in SrRuO3 and Sr0.5La0.5RuO3. This calculation predicts that Sr1-xLaxRuO3 contains La-O hybridization which suppresses FM interaction even at small x.