Defect creation in amorphous HfO2 facilitated by hole and electron injection

Jack Strand, Moloud Kaviani, Alexander L. Shluger

    Research output: Contribution to journalArticlepeer-review

    9 Citations (Scopus)


    Using Density Functional Theory (DFT) calculations we modeled the mechanisms of formation of oxygen vacancies and interstitial ions in amorphous HfO2 under electron and hole injection conditions. The results demonstrate that injected electrons and holes can create strongly localised bipolaron states at intrinsic trapping sites in amorphous structure. These bipolarons decompose into stable and mobile O vacancies and interstitial ions upon thermal activation. These mechanisms can contribute to dielectric breakdown of gate oxide films and electro-forming in RRAM cells based on amorphous HfO2.

    Original languageEnglish
    Pages (from-to)279-283
    Number of pages5
    JournalMicroelectronic Engineering
    Publication statusPublished - 2017 Jun 25


    • Amorphous HfO
    • Density Functional Theory
    • Electron injection
    • Frenkel defects
    • RRAM
    • Thin films

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Atomic and Molecular Physics, and Optics
    • Condensed Matter Physics
    • Surfaces, Coatings and Films
    • Electrical and Electronic Engineering


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