Magnetism in antiperovskite (Li₂M)ChO (M = Fe, Mn, Co; Ch = S, Se) diluted magnets with fixed 1/3 filling: the key role of magnetic anisotropy · arXivDesk
2608.13111Aug 13, 2026
Magnetism in antiperovskite (Li2M)ChO (M = Fe, Mn, Co; Ch = S, Se) diluted magnets with fixed 1/3 filling: the key role of magnetic anisotropy
Jieyuan Zheng, Frederik L. Carstens, Lennart Singer, Mohammed A. A. Mohamed, Luca Bischof, Alexey Alfonsov, Jan Arneth, Silke Hampel +2
We report the magnetic properties of a series of lithium-rich antiperovskites (Li2M)ChO (M = Fe, Co, Mn and Ch = Se, S) where transition metal and lithium ions are randomly distributed on the X-sites of the X3
Nearby in the stack
BA structure, thereby forming a strongly diluted magnetic sublattice. Our study hence enables us to investigate the evolution of magnetic order at fixed 1/3-filling -- which is in the vicinity but slightly above the percolation threshold -- upon variation of the spin size, the magnetic anisotropy, and the orbital configuration. The data imply the absence of a distinct Curie-Weiss behavior up to 350 K but show rather large and weakly temperature-dependent magnetic susceptibility. We observe clear signatures of long-range antiferromagnetic order evolving in the 1/3-filled and strongly diluted magnetic X-site lattice with increasing Néel temperatures from
TN≃30
K in (Li
2
Mn)
Ch
O to
≃50
K in (Li
2
Fe)
Ch
O and
70−90
K in (Li
2
Co)
Ch
O. Except for
M
= Co, the chalcogenide has no sizable effect on
TN
. We conclude significant magnetic coupling and short-range magnetic correlations at well above
TN
which is in line with the observation of a broad electron spin resonance signal at room temperature. The actual ordering temperatures are strongly diminished by magnetic dilution. While structural parameters such as the tolerance factor and bonding angles do not strongly affect
TN
, a key parameter is the magnetic anisotropy of the transition metals.