Simulation of coexisting ferromagnetic order and disorder of geometrically frustrated Co2Cl(OH)3

The ground state and phase transition of Co2Cl(OH)3 were investigated by Monte Carlo simulation. This compound is a magnet, with a pyrochlore structure distorted along one axis. The magnetic structure at low temperatures consists of coexisting ferromagnetism and random spin, according to experiments. However, the formation mechanism of the coexistence and the interaction between the spins were unclear. We assumed an anisotropic Ising model and examined the ground state by multicanonical Monte Carlo simulation. In a nearest neighbor model, the ground states were highly degenerated. Almost all of the states were spin glass states, but a few of the states were ferromagnetic. The latter magnetic states were ferromagnetic at triangular layers and two in-one out random state at Kagome layers. The latter states should be stabilized if weak ferromagnetic interactions exist between second nearest neighbor spins and correspond to the states reported by the experiments. This expectation was confirmed by simulation.

► A peculiar coexisting state was interpreted by assuming an anisotropic Ising model.
► In a nearest interaction model, the coexisting state is suppressed by spin glass.
► The coexisting state is stabilized by weak ferromagnetic 2nd nearest interaction.
► Temperature dependences of order parameters are consistent with the experiments.