Volume 100, Number 6, December 2012
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||19 December 2012|
Magnetic properties of La0.67Sr0.33MnO3/BiFeO3(001) heterojunctions: Chemically abrupt vs. atomic intermixed interface
1 Instituto de Física, Universidade Federal do Rio de Janeiro - Caixa Postal 68528, Rio de Janeiro 21941-972, Brazil
2 Abdus Salam International Centre for Theoretical Physics - Trieste 34014, Italy, EU
3 IOM-CNR DEMOCRITOS National Simulation Center - Trieste 34014, Italy, EU
Received: 2 October 2012
Accepted: 28 November 2012
Using first-principles density-functional calculations, we address the magnetic properties of the ferromagnet/antiferromagnet La0.67Sr0.33MnO3/BiFeO3(001) heterojunctions, and investigate possible driving mechanisms for a ferromagnetic (FM) interfacial ordering of the Fe spins recently observed experimentally. We find that the chemically abrupt defect-free La0.67Sr0.33MnO3/BiFeO3(001) heterojunction displays, as ground state, an ordering with compensated Fe spins. Cation Fe/Mn intermixing at the interface tends to favour, instead, a FM interfacial order of the Fe spins, coupled antiferromagnetically to the bulk La0.67Sr0.33MnO3 spins, as observed experimentally. Such trends are understood based on a model description of the energetics of the exchange interactions.
PACS: 75.70.Cn – Magnetic properties of interfaces (multilayers, superlattices, heterostructures) / 71.15.Mb – Density functional theory, local density approximation, gradient and other corrections / 71.70.Gm – Exchange interactions
© EPLA, 2012
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