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A Charge Transfer Ionic–embedded Atom Method Potential For The O–Al–Ni–Co–Fe System

X. Zhou, H. Wadley
Published 2005 · Chemistry

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Magnetic tunnel junctions (MTJs) require the growth of a thin (~20 A) dielectric metal oxide layer, such as Al2O3, on a ferromagnetic metal layer, such as Co, CoFe, or CoNiFe. The atomic assembly mechanisms that combine to form a uniformly thin metal oxide layer on these metal surfaces are not well understood. The application of molecular dynamics simulations to the growth of metal and metal oxide multilayers that involve more than one metal element has not been possible using the conventional interatomic potentials. A recently proposed modified charge transfer ionic–embedded atom method potential appears to correctly enable the charge transfer between oxygen and numerous metal elements to be modelled in a format amenable for molecular dynamics studies. Here we parametrize this charge transfer ionic–embedded atom method potential for the quinternary O–Al–Ni–Co–Fe system so that a direct molecular dynamics simulation of the growth of the tunnelling magnetoresistive multilayers can be realized.
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