Changing the magnetic states of an Fe/BaTiO(3)interface through crystal field effects controlled by strain

authors	Amorim, CO; Goncalves, JN; Amaral, JS; Amaral, VS
nationality	International
journal	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
keywords	ENTANGLEMENT
abstract	The search for better and inexpensive magnetoelectric materials is now commonplace in solid state physics. Intense coupling between technologically viable electric and magnetic properties, embedded in a single material, is still an attribute greatly pursued by the scientific community. Following this line of thought, using DFT, the study of a specific interface between the TiO(2)layer of BaTiO(3)and a monolayer of Fe atoms is presented, probing different uni-axial strain effects of the considered supercell. Depending on the strain, several different metastable magnetic states are predicted: a perfectly balanced antiferromagnetic state, an unbalanced ferrimagnetic state, a ferromagnetic state, and a non-magnetic state where each atom has its total magnetic moment quenched. Since these multiple magnetic states can be reversibly controlled by strain, under optimized conditions, this interface can switch from the ferromagnetic state (mu approximate to 2.2 mu(B)per Fe-atom) to the non-magnetic state (mu= 0 mu(B)per Fe-atom), enabling enticing prospects for technological applications.
publisher	ROYAL SOC CHEMISTRY
issn	1463-9076
isbn	1463-9084
year published	2020
volume	22
issue	32
beginning page	18050
ending page	18059
digital object identifier (doi)	10.1039/d0cp01087a
web of science category	Chemistry, Physical; Physics, Atomic, Molecular & Chemical
subject category	Chemistry; Physics
unique article identifier	WOS:000562560400026