Study of electronic structure in Co/Al2O3/Co heterojunctions from first principles

Zhiyong Qiu, Jiaxiang Shang, Xiaofang Bi, Shengkai Gong, Huibin Xu

    Research output: Contribution to journalArticlepeer-review

    4 Citations (Scopus)


    The electronic structure and magnetic properties of Co/Al2O 3/Co with O-terminated and Al-terminated interface models of different thicknesses are investigated by first-principles discrete variational method with the local-spin-density approximation. Our calculations results show that the magnetic moment of interface Co layer is enhanced for Al-terminated and weakened for O-terminated interface compared with that of bulk Co. For O-terminated interface models, spin polarization at Fermi energy of Co layer at interface exhibits negative and becomes positive for O layer at interface. In contrast, both Co and Al layers at interface possess negative SP for the Al-terminated interface models. We have also found that TMR ratio of Al-terminated interface models is much larger than that of O-terminated interface. In addition, the change of SP with the thickness of insulating layer is in a similar way as that of magnetic moment.

    Original languageEnglish
    Pages (from-to)533-537
    Number of pages5
    JournalActa Materialia
    Issue number3
    Publication statusPublished - 2004 Feb 9


    • Al O
    • Co
    • Electronic structure
    • Magnetic tunnel junction
    • Magnetoresistance

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Ceramics and Composites
    • Polymers and Plastics
    • Metals and Alloys


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