Enhanced strain-induced magnetoelectric coupling in polarization-free Fe/BaTiO3 heterostructures
Literature Information
Carlos O. Amorim, João S. Amaral, Vítor S. Amaral
The search for magnetoelectric materials typically revolves around the struggle to make magnetic and ferroelectric orders simultaneously coexist in the same material, using either an intrinsic or an extrinsic/composite approach. Via ab initio calculations of a prototypical Fe/BaTiO3 interface, we predict that it is possible to tune the magnitude of the individual magnetic moments even for non-polar BaTiO3. By comparing polar and non-polar Fe/BaTiO3 heterostructures, we show that the Fe, Ti and equatorial O atomic magnetic moments are induced and enhanced as a result of their local crystal field. The crystal field may be controlled solely by manipulation of the inter-atomic distances of their neighbouring atoms (which will affect their electrostatic fields and orbital hybridizations), or by the BaTiO3 electric dipole moments, working as a local polarization. When this polarization is present, it dominates the crystal field contributions, thus constraining the effects of other perturbations such as strain. We also find that, contrary to conventional expectations, the non-polar heterostructure shows higher strain induced magnetization sensitivity than its polar counterpart.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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