Abstract
The structural stability and electronic state coupling in Fe/MgO heterojunction with a B interlayer at the interface are studied by using first-principles calculations. The B localized at the interface can effectively prevent interfacial oxidization and maintain a stable structure on the basis of a comparison with the Fe/MgO and Fe/FeO/MgO heterojunctions. The Fe/FeB/MgO heterojunction preserves the preferential transmission of the majority-spin Δ1 states, which dominate the spin-dependent electron tunneling in MgO-based magnetic tunnel junctions (MTJs). The Fe/FeB/MgO/FeB/Fe MTJ is expected to maintain high tunneling magnetoresistance ratio similar to that of the Fe/MgO/Fe MTJ. This work provides a basic method to explore interfacial influence on MTJs.
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