Multiferroicity in V-doped PbTiO${}_3$

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 ${\mu }_{\mathrm{B}}$ 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${}^2$.

4 pages, 3 figures, 1 table

References in corpus (2)

• Multiferroicity, The coupling between magnetic and polarization
• Ferromagnetism and orbital order in a topological ferroelectric

Cited by in corpus (1)

• Vanadium-doped HfO${}_2$, multiferroic uncompromised