Abstract
Magnetic semiconducting FeTiO2 solid solutions with Fe compositions of 6 %, 9 %, and 12 % were analyzed using multi-phase Rietveld refinement analysis for average structure and maximum entropy for electronic structure. VSM analysis showed that the 9 % and 12 % Fe doped TiO2 compositions had a maximum magnetization of 0.3128 emu/g and coercivity of 574 Oe and 568 Oe, respectively. This confirms ferromagnetic tuning with Fe doping at or above 9 %. The MEM electron density at the bond critical points (BCP) of the apical and equatorial (Ti/Fe)–O bonds in 12 % Fe-doped TiO2 is 1.088 e/Å3 and 0.8652 e/Å3, indicating polar covalent bond. This work primarily examines a new empirical correlation between MEM electron density and magnetic parameters. Fe: TiO2 solid solutions have high magnetization and coercivity due to strong and identical (Ti/Fe) – O apical and equatorial polar covalent bonding, with low interstitial charge buildup at non-regular tetrahedral rutile lattice sites.
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