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

    研究成果: Contribution to journalArticle査読

    4 被引用数 (Scopus)

    抄録

    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.

    本文言語英語
    ページ(範囲)2715-2722
    ページ数8
    ジャーナルECS Transactions
    57
    1
    DOI
    出版ステータス出版済み - 2013

    All Science Journal Classification (ASJC) codes

    • 工学(全般)

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