Materials study demonstrates FeS-flux growth and temperature-dependent magnetic anisotropy in FeMo2S4 single crystals, indicating an antiferromagnetically ordered distorted framework.
FeMo2S4 is a MoS2-related ternary transition-metal sulfide in which Fe incorporation produces a distorted metal-sulfur framework and gives rise to magnetic functionality. This work reports the first FeS-flux growth of large FeMo2S4 single crystals and investigates their structural and anisotropic magnetic properties. Raman spectroscopy, synchrotron X-ray diffraction, and pair distribution function analysis confirm crystalline FeMo2S4 with a distorted Fe-Mo-S polyhedral framework and locally distorted Mo-S and Fe-S coordination environments. Magnetic measurements reveal a broad antiferromagnetic anomaly, negligible ferromagnetic hysteresis, a very small field-induced moment, and pronounced temperature-dependent magnetic anisotropy. Density functional theory calculations show that the antiferromagnetic configuration is energetically favored over the ferromagnetic and nonmagnetic states considered. Spin-density and density-of-states analyses further reveal Fe-centered magnetic moments and substantial Fe-derived states near the Fermi level.
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Wu et al. (2026) studied this question.
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