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arXiv · 1309.7205

Multiferroicity in V-doped PbTiO$_{3}$

Francesco Ricci·Vincenzo Fiorentini
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Abstract

We report \emph{ab initio} predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO$_{3}$ doped with vanadium. V impurities coupled ferromagnetically carry a magnetization of 1 $\mu_{\rm B}$ each. The coupling is expected to be strong, since the paramagnetic solution is higher by 150 meV/vanadium, and no stable antiferromagnetic solution was found. The electronic gap in the doped system is about 0.2-0.3 eV in GGA, hence the system is properly multiferroic. V doping increases the spontaneous polarization in PbTiO$_{3}$, with an approximate percentual rate of 0.7 $\mu$C/cm$^{2}$.

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Francesco Ricci, Vincenzo Fiorentini. 2013-09-27. Multiferroicity in V-doped PbTiO$_{3}$. https://doi.org/10.1088/1742-6596/470/1/012013

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