Ferroelectric control of magnetization in La_{1-x}Sr_xMnO3 manganites: A first-principle study

Abstract

We present a first-principles study on the interface between perovskite ferroelectrics (PbTiO3) and conducting magnetic manganites La_{1-x}Sr_xMnO3. We show that by switching the ferroelectric polarization, additional carriers are accumulated or depleted at the interfacial region of the manganite and that this change in carrier density can modify the magnetic spin configuration of the interfacial Mn, which is consistent with the experimentally observed anomalously large change in the magnetization. We also describe an unexpected purely interfacial phenomenon whereby the ferroelectric polarization of the interfacial region changes the magnetic energetics --- a degree of freedom not present in bulk manganites. Theoretically, we show the the ground-state magnetic structure depends sensitively on the precise choice of Hubbard $U$ parameter within the widely-used DFT+U class of exchange correlation functionals. We provide a simple Ising-like model that explains the evolution of the magnetic structure with U in tandem with a discussion of various different ways in which one might try to choose an appropriate U parameter.

36 pages, 14 figures

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• Spin-density functional theories and their $+U$ and $+J$ extensions: a comparative study of transition metals and transition metal oxides
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• Enhancing interfacial magnetization with a ferroelectric
• Thickness-dependent self-polarization-induced intrinsic magnetoelectric effects in La0.67Sr0.33MnO3/PbZr0.52Ti0.48O3 heterostructures
• Confinement of magnetism in atomically-thin $L{a}_{0.7}S{r}_{0.3}Cr{O}_3$/$L{a}_{0.7}S{r}_{0.3}Mn{O}_3$ heterostructures
• Novel magneto-electric multiferroics from first-principles