Magnetic coupling mechanism in A-site ordered perovskite YMn 3Al4O12: Extended (Mn-O)-(O-Mn) superexchange

Hongping Li, Xiaojuan Liu, Changsheng Li, Shuhui Lv, Yijia Bai, Zhongchang Wang, Jian Meng

    Research output: Contribution to journalArticlepeer-review

    1 Citation (Scopus)


    A-site ordered double perovskites hold promise for potential device applications, where how their magnetic objects actually interact is known to influence functionality. Here, we investigate, by first-principles calculations, electronic and magnetic properties of YMn3Al4O 12, and demonstrate that it is an antiferromagnetic insulator. Our calculations reveal the extended (Mn-O)-(O-Mn) superexchange as a primary magnetic coupling mechanism in YMn3Al4O12, and further identify the O-O bonds as a key factor to dominate coupling strength. We suggest that this superexchange mode is the origin of antiferromagnetic behavior, opening an additional avenue to understand magnetic coupling in A-site ordered double perovskites.

    Original languageEnglish
    Pages (from-to)63-66
    Number of pages4
    JournalSolid State Sciences
    Publication statusPublished - 2013


    • Double perovskite
    • Electronic and magnetic properties
    • Extended superexchange
    • First-principles

    ASJC Scopus subject areas

    • Chemistry(all)
    • Materials Science(all)
    • Condensed Matter Physics


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