Enhanced strain-induced magnetoelectric coupling in polarization-free Fe/BaTiO3 heterostructures
authors Amorim, CO; Amaral, JS; Amaral, VS
nationality International
journal PHYSICAL CHEMISTRY CHEMICAL PHYSICS
keywords ROOM; PROGRESS
abstract 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.
publisher ROYAL SOC CHEMISTRY
issn 1463-9076
isbn 1463-9084
year published 2021
volume 23
issue 30
beginning page 16053
ending page 16059
digital object identifier (doi) 10.1039/d1cp00885d
web of science category 7
subject category Chemistry, Physical; Physics, Atomic, Molecular & Chemical
unique article identifier WOS:000675013900001
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journal impact factor 3.43
5 year journal impact factor 3.735
category normalized journal impact factor percentile 69.267
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