Multiferroicity in V-doped PbTiO3

We report ab initio predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO3 doped with vanadium (V). Ferromagnetically coupled V impurities carry a magnetization of 1 μB each. The coupling is expected to be strong, since the paramagnetic solution is h...

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Bibliographic Details
Format: Conference Proceeding
Language:English
Subjects:
Antiferromagnetism
Ferroelectricity
Ferromagnetism
Lead titanates
Multiferroic materials
Physics
Vanadium
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Summary:We report ab initio predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO3 doped with vanadium (V). Ferromagnetically coupled V impurities carry a magnetization of 1 μB 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 the generalized gradient approximation (GGA), hence the system is properly multiferroic. V doping increases the spontaneous polarization in PbTiO3, with an approximate percentual rate of 0.7 μC/cm2.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/470/1/012013