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Coexistence of Commensurate and Incommensurate Antiferromagnetic Groundstates in Co$_x$NbSe$_2$ Single Crystal

Published 31 Dec 2024 in cond-mat.mtrl-sci and cond-mat.str-el | (2501.00591v1)

Abstract: In Co$x$NbSe$_2$, crystal symmetry, and cobalt site occupation drive the formation of two distinct magnetic phases. At $x = 1/4$, the centrosymmetric structure ($P$6$_3$/$mmc$) promotes Co-Co interactions leading to the formation of an $A$-type antiferromagnetic structure phase with a transition temperature of $T_NA$ = 169 K. At $x = 1/3$, the non-centrosymmetric structure ($P$6$_3$22) induces a lower-temperature magnetic phase with $T_NS$ = 28 K. We report the coexistence of both substructures within a superlattice, with a nuclear propagation vector of (1/3, 1/3, 0) relative to the host lattice. Single crystals of Co${0.28}$NbSe$_2$ exhibit both magnetic transitions, with $T_NA$ corresponding to the $x \sim 1/4$ phase and $T_NS$ corresponding to the $x \sim 1/3$ phase. Magnetic susceptibility and specific heat measurements confirm these transitions, although only the high-temperature $T_NA$ phase significantly affects resistivity. We successfully isolate each phase in powder samples, while single crystals with an intercalation ratio of $x = 0.28$ display the coexistence of both phases in a single sample. Using single-crystal neutron diffraction, we solved the magnetic structure of the high-temperature centrosymmetric phase ($T_NA$), and neutron powder diffraction revealed the double-$q$ magnetic structure of the low-temperature noncentrosymmetric phase ($T_NS$)

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