Theory of magnetism-driven negative thermal expansion in inverse perovskite antiferromagnets

Masaya Kobayashi, Masahito Mochizuki

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)


Magnetism-induced negative thermal expansion (NTE) observed in inverse perovskite antiferromagnets Mn 3 AN(A=Zn,Ga, etc.) is theoretically studied by a classical spin model with competing bond-length-dependent exchange interactions. We numerically reproduce the crystal-volume expansion upon cooling triggered by a noncoplanar antiferromagnetic order and show that the expansion occurs so as to maximize an energy gain of the nearest-neighbor antiferromagnetic interactions. This mechanism is not specific to inverse perovskite magnets and might also be expected in magnets with other crystal structures. We propose other candidate crystal structures that might exhibit NTE through this mechanism.

Original languageEnglish
Article number024407
JournalPhysical Review Materials
Issue number2
Publication statusPublished - 2019 Feb 21

ASJC Scopus subject areas

  • Materials Science(all)
  • Physics and Astronomy (miscellaneous)


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