期刊
PHYSICAL REVIEW B
卷 97, 期 6, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.97.060401
关键词
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资金
- JSPS KAKENHI [25870169, 25287088, 26800200, 17H02924]
- Waseda University Grant for Special Research Projects [2017S-101]
- JST PRESTO [JPMJPR132A]
- Grants-in-Aid for Scientific Research [26800200, 17H02924] Funding Source: KAKEN
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 Gamma(5g) and Gamma(4g) spin-ordered patterns and the systematic evolution ofmagnetic 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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