Spin model for nontrivial types of magnetic order in inverse-perovskite antiferromagnets

Masahito Mochizuki, Masaya Kobayashi, Reoya Okabe, Daisuke Yamamoto

    Research output: Contribution to journalArticle

    3 Citations (Scopus)

    Abstract

    Nontrivial magnetic orders in the inverse-perovskite manganese nitrides are theoretically studied by constructing a classical spin model describing the magnetic anisotropy and frustrated exchange interactions inherent in specific crystal and electronic structures of these materials. With a replica-exchange Monte Carlo technique, a theoretical analysis of this model reproduces the experimentally observed triangular Γ5g and Γ4g spin-ordered patterns and the systematic evolution of magnetic orders. Our Rapid Communication solves a 40-year-old problem of nontrivial magnetism for the inverse-perovskite manganese nitrides and provides a firm basis for clarifying the magnetism-driven negative thermal expansion phenomenon discovered in this class of materials.

    Original languageEnglish
    Article number060401
    JournalPhysical Review B
    Volume97
    Issue number6
    DOIs
    Publication statusPublished - 2018 Feb 5

    Fingerprint

    Magnetism
    Manganese
    Nitrides
    Perovskite
    nitrides
    manganese
    Magnetic anisotropy
    Exchange interactions
    replicas
    Electronic structure
    thermal expansion
    Crystal structure
    communication
    electronic structure
    anisotropy
    crystal structure
    Communication
    interactions
    perovskite
    Negative thermal expansion

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Condensed Matter Physics

    Cite this

    Spin model for nontrivial types of magnetic order in inverse-perovskite antiferromagnets. / Mochizuki, Masahito; Kobayashi, Masaya; Okabe, Reoya; Yamamoto, Daisuke.

    In: Physical Review B, Vol. 97, No. 6, 060401, 05.02.2018.

    Research output: Contribution to journalArticle

    Mochizuki, Masahito ; Kobayashi, Masaya ; Okabe, Reoya ; Yamamoto, Daisuke. / Spin model for nontrivial types of magnetic order in inverse-perovskite antiferromagnets. In: Physical Review B. 2018 ; Vol. 97, No. 6.
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