Mechanism of magnetization enhancement at CoO/permalloy interfaces | Zendy

Sergiy Grytsyuk | Zendy; Udo Schwingenschlögl | Zendy

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Mechanism of magnetization enhancement at CoO/permalloy interfaces

Author(s) -

Sergiy Grytsyuk,

Udo Schwingenschlögl

Publication year - 2013

Publication title -

applied physics letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.182

H-Index - 442

eISSN - 1077-3118

pISSN - 0003-6951

DOI - 10.1063/1.4818507

Subject(s) - permalloy , materials science , condensed matter physics , magnetization , ab initio , ab initio quantum chemistry methods , density functional theory , lattice constant , chemistry , magnetic field , computational chemistry , molecule , physics , optics , organic chemistry , quantum mechanics , diffraction

We investigate the magnetic properties of CoO(111)/permalloy(111) interfaces by ab-initio calculations. We employ a (5 × 5)CoO/(6 × 6)permalloy supercell, to satisfy the ∼5:6 ratio of the lattice constants, and optimize the atomic density near the interface. While experimentally the interface magnetization is 14% higher than in the bulk, we find for the purely O/Co-terminated interface a decrease/increase by 140%/40%, which enables insight into the real interface with partial O deficiency and atomic intermixing. Intermixing between Fe and Ni significantly lowers the total energy, which promotes Fe accumulation at the interface. Since Co-O bonds are energetically favorable, O diffusion into the permalloy is suppressed

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