With decreasing temperature, ${\mathrm{Sr}}_2{\mathrm{VO}}_4$ undergoes two structural phase transitions, tetragonal-to-orthorhombic-to-tetragonal, without long-range magnetic order. Recent experiments suggest that only at very low temperature, ${\mathrm{Sr}}_2{\mathrm{VO}}_4$ might enter a yet-unknown phase with long-range magnetic order, but without orthorhombic distortion. By combining relativistic density functional theory with an extended spin-1/2 compass-Heisenberg model, we find an antiferromagnetic single-stripe ground state with highly competing exchange interactions, involving a non-negligible interlayer coupling, which places the system at the crossover between the XY-model and Heisenberg-model regimes. Most strikingly, we find a strong two-site “spin-compass” exchange anisotropy which is relieved by the orthorhombic distortion induced by the spin stripe order. Based on these results, we discuss the origin of the hidden-order phase and the possible formation of a spin liquid at low temperatures.

• Received 23 August 2017

DOI:https://doi.org/10.1103/PhysRevB.96.180405