TY - JOUR
T1 - Spin model for nontrivial types of magnetic order in inverse-perovskite antiferromagnets
AU - Mochizuki, Masahito
AU - Kobayashi, Masaya
AU - Okabe, Reoya
AU - Yamamoto, Daisuke
N1 - Funding Information:
This research was supported by JSPS KAKENHI (Grants No. 25870169, No. 25287088, No. 26800200, and No. 17H02924), Waseda University Grant for Special Research Projects (Project No. 2017S-101), and JST PRESTO (Grant No. JPMJPR132A).
Publisher Copyright:
© 2018 American Physical Society.
PY - 2018/2/5
Y1 - 2018/2/5
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.97.060401
DO - 10.1103/PhysRevB.97.060401
M3 - Article
AN - SCOPUS:85042155298
SN - 2469-9950
VL - 97
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
IS - 6
M1 - 060401
ER -