Unusual ferromagnetic YMnO₃phase in YMnO₃/La_{2 / 3}Sr_{1 / 3}MnO₃heterostructures

Abstract

By means of first-principles density functional calculations, we study the structural, magnetic and electronic properties of YMnO 3 /La Sr 2 3 1 3 MnO 3 heterostructures. Although in the bulk the ground state of YMnO 3 is an antiferromagnet, the YMnO 3 /La Sr 2 3 1 3 MnO 3 heterostructure stabilizes the ferromagnetic (FM) phase in YMnO 3 in the interface region over a wide range of Coulomb repulsion parameters. The hypothetical FM phase of bulk YMnO 3 is dielectric and due to substantial differences between the lattice constants in the ab plane, a strong magnetocrystalline anisotropy is present. This anisotropy produces a high coercivity of the unusual FM YMnO 3 that can explain the large vertical shift in the hysteresis loops observed in recent experiments (Paul et al 2014 J. Appl. Crystallogr. 47 1054. The correlation between weak exchange bias and the vertical shift is proposed, which calls for reinvestigation of various systems showing vertical shifts.

Crystal-Orientation-Modulated Exchange Bias in Orthorhombic-YMnO3/La0.6Sr0.4MnO3 Multiferroic Heterostructures

“…The temperature dependence of the vertical shift was shown inFig. 3(c), a shift of ~0.15 µ B /Mn is visible at 5 K. With the increase of temperature, the shift decreases and finally disappears around 50 K. This vertical shift was also reported in Paul's work, which is induced by the formation of ferromagnetic phase with strong magneto-anisotropy in YMO side at the interface 15,16,26 .…”

Atomic-scale engineering of ferroelectric-ferromagnetic interfaces of epitaxial perovskite films for functional properties

“…We calculated the most stable doping configuration of the La 2/3 Sr 1/3 O layers. The most stable configuration is with LaO layers and SrO layers in agreement with the literature 31 . The LaO layer prefers to stay at the interface as already shown in other heterostructures of LSMO 31,41 .…”

“…We also analyzed a bigger supercell with 4 BaTiO 3 and 4 La 2/3 Sr 1/3 O layers with MnO 2 /BaO/TiO 2 getting qualitatively similar results. Bulk phases of LSMO were studied and our results are in agreement with the literature 31 . We find that bulk LSMO is a ferromagnetic metal with a pseudocubic symmetry.…”

“…9(a) (left panel). The instability towards the A-type magnetic order for particular values of the lattice constant was also found in LSMO/YMO 3 heterostructure 31 . In Fig.…”

Topological Transition in Pb1-xSnxSe using Meta-GGA Exchange-Correlation Functional

“…We look also to the role played by the spin-orbit coupling (SOC) in driving this transition. We stress that SOC is a relativistic effect that may give rise to exotic effects like complex spin texture [34], spin Hall effect [35], topological phases [36], large magnetocrystalline anisotropy [37][38][39], and non collinear phases [40].…”