Magnetic structure in the two-dimensional van der Waals ferromagnet Fe$_3$GaTe$_2$

Abstract: High-quality single crystals of the two-dimensional van der Waals ferromagnet Fe$_3$GaTe$_2$ (FGaT) were successfully grown using the chemical vapour transport method, which effectively reduced surface impurities compared with conventional self-flux growth. Structural and magnetic characterizations were performed using single-crystal X-ray and neutron diffraction. The results confirm that FGaT crystallizes in the hexagonal $P6_3/mmc$ structure, with Fe occupying two inequivalent sites (Fe$^{i}$ and Fe$^{ii}$), where the magnetic moment of Fe$^{i}$ [1.9(2) $μ_B$] is larger than that of Fe$^{ii}$ [1.4(6) $μ_B$]. The magnetic easy axis is oriented along the $c$ axis and the Curie temperature ($T_C$) is approximately 355-360 K. Compared with Fe$_3$GeTe$_2$ (FGT), FGaT exhibits a slightly expanded $a$ axis and a contracted $c$ axis, resulting in a reduction in the Fe$^{i}$-Fe$^{ii}$ interatomic distance along the $c$ axis. This pronounced contraction could strengthen the Fe$-$Fe exchange interaction, which is believed to be the key factor responsible for the significantly higher $T_C$ in FGaT relative to FGT.