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

TL;DR

This study reveals the coexistence of two distinct antiferromagnetic groundstates in Co$_x$NbSe$_2$ crystals, driven by crystal symmetry and cobalt site occupation, with detailed magnetic structures characterized by neutron diffraction.

Contribution

It demonstrates the coexistence of commensurate and incommensurate antiferromagnetic phases in a single crystal, linked to different crystal symmetries and cobalt concentrations, and provides detailed magnetic structure analysis.

Findings

Coexistence of two magnetic phases in a single crystal.

Magnetic transition temperatures at 169 K and 28 K.

Magnetic structures characterized by neutron diffraction.

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 $T_N^A$ = 169 K. At $x = 1/3$, the non-centrosymmetric structure ($P$6$_3$22) induces a lower-temperature magnetic phase with $T_N^S$ = 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 $T_N^A$ corresponding to the $x \sim 1/4$ phase and $T_N^S$ corresponding to the $x \sim 1/3$ phase. Magnetic susceptibility and specific heat measurements confirm these transitions, although only the high-temperature $T_N^A$ 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 ($T_N^A$), and neutron powder diffraction revealed the double-$q$ magnetic structure of the low-temperature noncentrosymmetric phase ($T_N^S$)