From Complex Magnetism Ordering To Simple Ferromagnetism In Two-Dimensional Lacrsb3 By Hole Doping

Competing orders widely exist in many material systems, such as superconductivity, magnetism, and ferroelectricity; LaCrSb3 is a highly anisotropic magnetic material in which the spins are aligned ferromagnetically in one direction and canted antiferromagnetically in another in the Cr-Sb chains. Hole doping with Sr2+ and Ca2+ in the La site suppresses the antiferromagnetic correlations and transforms the anisotropic magnetic order into a ferromagnetic lattice in all directions. First-principles density functional theory calculations show that the canted magnetic order becomes energetically less favorable compared to the FM order upon hole doping. Doping in the La site is an effective approach to modulate the competing orders in LaCrSb3.