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University of Nebraska - Lincoln

2006

Ab initio calculations

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Effect Of Oxygen Vacancies On Interlayer Exchange Coupling In Fe/Mgo/Fe Tunnel Junctions, Mikhail Ye Zhuravlev, Julian P. Velev, A. V. Vedyayev, Evgeny Y. Tsymbal May 2006

Effect Of Oxygen Vacancies On Interlayer Exchange Coupling In Fe/Mgo/Fe Tunnel Junctions, Mikhail Ye Zhuravlev, Julian P. Velev, A. V. Vedyayev, Evgeny Y. Tsymbal

Nebraska Center for Materials and Nanoscience: Faculty Publications

We have investigated the interlayer exchange coupling (IEC) in Fe/MgO/Fe(0 0 1) tunnel junctions with and without oxygen vacancies in MgO, using model and density functional calculations. The model predicts that IEC changes sign from ferromagnetic to antiferromagnetic if a defect level matches the Fermi energy. Ab initio calculations show that for perfect junctions, IEC is ferromagnetic and decreases exponentially with MgO thickness. Oxygen vacancies placed in the middle of MgO make IEC antiferromagnetic for three monolayers (MLs) of MgO, but do not change the sign of IEC for five MLs. The latter fact is explained within the model, which …