Materials, Vol. 13, Pages 485: Magnetocaloric Effect in Cu5-NIPA Molecular Magnet: A Theoretical Study (Materials)

We calculated the magnetocaloric properties of the molecular nanomagnet Cu5-NIPA, consisting of five spins S = 1 / 2 arranged in two corner-sharing triangles (hourglass-like structure without magnetic frustration). The thermodynamics of the system in question was described using the quantum Heisenberg model solved within the field ensemble (canonical ensemble) using exact numerical diagonalization. The dependence of the magnetic entropy and magnetic specific heat on the temperature and the external magnetic field was investigated. The isothermal entropy change for a wide range of initial and final magnetic fields was discussed. Due to plateau-like behavior of the isothermal entropy change as a function of the temperature, a high degree of tunability of magnetocaloric effect with the initial and final magnetic field was demonstrated.