Vacancy-driven ferromagnetism in ferroelectric PbTiO 3

The possible origin of ferromagnetism in PbTiO 3 containing vacancies is investigated by performing first-principles calculations. We demonstrate that O and Ti vacancies both induce ferromagnetism but by different mechanisms: the ferromagnetism driven by the O vacancy originates from the spin-polari...

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Bibliographic Details
Published in:Applied physics letters 2012-04, Vol.100 (16), p.162901-162901-3
Main Authors: Shimada, Takahiro, Uratani, Yoshitaka, Kitamura, Takayuki
Format: Article
Language:English
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Summary:The possible origin of ferromagnetism in PbTiO 3 containing vacancies is investigated by performing first-principles calculations. We demonstrate that O and Ti vacancies both induce ferromagnetism but by different mechanisms: the ferromagnetism driven by the O vacancy originates from the spin-polarized e g state of the nearest Ti atom, whereas that driven by the Ti vacancy is due to the half-metallic p x state of the nearest O atom. The results presented here provide fundamental insights into the design of multiferroics in conventional ferroelectrics.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.4704362