First principles study on the electronic structure and properties of Sr- and Mg-Doped LaGaO3

Triati Dewi Kencana Wungu, Mamoru Sakaue, Susan Meñez Aspera, Tran Linh Phan Thuy, Musa Alaydrus, Hideaki Kasai, Tatsumi Ishihara

    Research output: Contribution to journalArticlepeer-review

    5 Citations (Scopus)

    Abstract

    The structure and electronic properties of Sr- and Mg- doped LaGaO 3 was studied by employing first-principles calculations based on density functional theory (DFT) to elucidate the effect of doping and oxygen vacancy formation. The density of states analysis shows the system to be an insulator and becomes a wide gap semiconductor after the oxygen vacancy formation accompanied by emergence of a new state above the Fermi energy due to electron donation from the dopant.

    Original languageEnglish
    Pages (from-to)2715-2722
    Number of pages8
    JournalECS Transactions
    Volume57
    Issue number1
    DOIs
    Publication statusPublished - 2013

    All Science Journal Classification (ASJC) codes

    • Engineering(all)

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