Thermodynamic properties of LiCu2O2 multiferroic compound

• 45°-tilt helical spin structure at ground state is adopted.
• The main characters of magnetoelectric behaviors in LiCu2O2 are reproduced.
• Spin structure factors are calculated to scrutinize the spiral spin states.
• The effects of various exchange couplings and anisotropies are examined.

A spin model of quasi-one-dimensional LiCu2O2 compound with ground state of ellipsoidal helical structure has been adopted. The helical axis is along the diagonal of CuO4 squares. By taking into account the interchain coupling and exchange anisotropy, the exotic magnetic properties and ferroelectricity induced by spiral spin order have been studied by performing Monte Carlo simulation. The simulation results qualitatively reproduce the main characters of ferroelectric and magnetic behaviors of LiCu2O2 compound and confirm the low-temperature noncollinear spiral ordering. Furthermore, by performing the calculations of spin structure factor, we systematically investigate the effects of different exchange couplings on the lower-temperature magnetic transition, and find that the spiral spin order depends not only on the ratio of nearest and next-nearest neighbor inchain spin coupling but also strongly on the exchange anisotropy.