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Why Fe$_3$GaTe$_2$ has higher Curie temperature than Fe$_3$GeTe$_2$?

Materials Science 2025-04-28 v1

Abstract

Physics of Fe3_3GaTe2_2 having higher Curie temperature (TCT_C) than Fe3_3GeTe2_2 is explored theoretically in the framework of magnetic exchange interactions. Fe3_3GaTe2_2 and Fe3_3GeTe2_2 are isostructural, with Fe3_3GaTe2_2 having one less valence electron and smaller nearest-neighbor exchange coefficients (J1J_1 and J2J_2), challenging the conventional notion that larger J1J_1 or J2J_2 leads to a higher TCT_C. We show that higher order exchange coefficients, J3J_3 or higher, of Fe3_3GaTe2_2 are positive whereas those of Fe3_3GeTe2_2 are negative. As a consequence, total sum of all possible exchange coefficients in Fe3_3GaTe2_2 are larger than Fe3_3GeTe2_2, which accounts for higher TCT_C. To validate these findings, TCT_C are computed using both mean-field theory and Monte Carlo simulation. Indeed, higher-order exchange interactions, when properly accounting for the number of neighbors, confirm the higher TCT_C of Fe3_3GaTe2_2.

Cite

@article{arxiv.2504.17998,
  title  = {Why Fe$_3$GaTe$_2$ has higher Curie temperature than Fe$_3$GeTe$_2$?},
  author = {Bomin Kim and Tumentsereg Ochirkhuyag and Dorj Odkhuu and S. H. Rhim},
  journal= {arXiv preprint arXiv:2504.17998},
  year   = {2025}
}

Comments

5 pages, 5 figures, one supplementary

R2 v1 2026-06-28T23:10:43.769Z